 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer05_STD_LCPBE_augccpVDZ.in
 Output=12_L-valine_conformer05_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/12_L-valine/Gau-28590.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/12_L-valine/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     28591.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Sep-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=12_L-valine_conformer05_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=033700000
 0,3/108=0337000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=337000000,108=337000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Sep 27 14:05:07 2021, MaxMem=  5637144576 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "12_L-valine_conformer05_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.066458000000     -1.742250000000      0.058829000000
  C                                                 1.144781000000     -0.237615000000      0.319196000000
  C                                                 0.017403000000      0.519585000000     -0.407509000000
  C                                                -1.339934000000     -0.122015000000     -0.159849000000
  O                                                -1.699602000000     -0.061835000000      1.148390000000
  C                                                 2.507306000000      0.318287000000     -0.090613000000
  N                                                 0.026381000000      1.937057000000     -0.047760000000
  O                                                -2.052705000000     -0.609463000000     -0.998100000000
  H                                                 0.182303000000      0.443607000000     -1.483828000000
  H                                                 1.004355000000     -0.066187000000      1.392046000000
  H                                                -2.578745000000     -0.464892000000      1.218746000000
  H                                                -0.631756000000      2.459844000000     -0.613015000000
  H                                                -0.239946000000      2.056537000000      0.923147000000
  H                                                 3.302392000000     -0.158123000000      0.485808000000
  H                                                 2.698710000000      0.120238000000     -1.148924000000
  H                                                 2.557607000000      1.394116000000      0.066259000000
  H                                                 1.885722000000     -2.256885000000      0.562881000000
  H                                                 0.132400000000     -2.176666000000      0.418486000000
  H                                                 1.144663000000     -1.956563000000     -1.009918000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Sep 27 14:05:08 2021, MaxMem=  5637144576 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.066458   -1.742250    0.058829
      2          6           0        1.144781   -0.237615    0.319196
      3          6           0        0.017403    0.519585   -0.407509
      4          6           0       -1.339934   -0.122015   -0.159849
      5          8           0       -1.699602   -0.061835    1.148390
      6          6           0        2.507306    0.318287   -0.090613
      7          7           0        0.026381    1.937057   -0.047760
      8          8           0       -2.052705   -0.609463   -0.998100
      9          1           0        0.182303    0.443607   -1.483828
     10          1           0        1.004355   -0.066187    1.392046
     11          1           0       -2.578745   -0.464892    1.218746
     12          1           0       -0.631756    2.459844   -0.613015
     13          1           0       -0.239946    2.056537    0.923147
     14          1           0        3.302392   -0.158123    0.485808
     15          1           0        2.698710    0.120238   -1.148924
     16          1           0        2.557607    1.394116    0.066259
     17          1           0        1.885722   -2.256885    0.562881
     18          1           0        0.132400   -2.176666    0.418486
     19          1           0        1.144663   -1.956563   -1.009918
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.529004   0.000000
     3  C    2.536510   1.540270   0.000000
     4  C    2.909245   2.533112   1.521627   0.000000
     5  O    3.414971   2.967992   2.388928   1.358113   0.000000
     6  C    2.518767   1.527562   2.518047   3.872972   4.402010
     7  N    3.824973   2.472787   1.462439   2.473693   2.899200
     8  O    3.482741   3.478140   2.430822   1.203459   2.243211
     9  H    2.817710   2.154373   1.091525   2.095246   3.274998
    10  H    2.142548   1.095497   2.134385   2.811972   2.714916
    11  H    4.032934   3.837381   3.217745   1.884872   0.969689
    12  H    4.581801   3.361753   2.056270   2.715303   3.256026
    13  H    4.109078   2.746882   2.049169   2.670008   2.582408
    14  H    2.773296   2.165494   3.471089   4.687149   5.046606
    15  H    2.755318   2.167517   2.810442   4.165045   4.965476
    16  H    3.472805   2.173155   2.727984   4.188150   4.627594
    17  H    1.090922   2.164677   3.484402   3.935081   4.244480
    18  H    1.091116   2.189679   2.822279   2.593035   2.891626
    19  H    1.092825   2.172861   2.786561   3.203343   4.042045
                    6          7          8          9         10
     6  C    0.000000
     7  N    2.962641   0.000000
     8  O    4.741092   3.422062   0.000000
     9  H    2.713373   2.077738   2.517965   0.000000
    10  H    2.145917   2.653764   3.918362   3.034190   0.000000
    11  H    5.309963   3.762988   2.282986   3.968962   3.609377
    12  H    3.835737   1.012899   3.404120   2.342268   3.616346
    13  H    3.405380   1.013837   3.752978   2.928031   2.504817
    14  H    1.091508   3.925140   5.575191   3.738516   2.471982
    15  H    1.093563   3.413903   4.809486   2.559108   3.059758
    16  H    1.088369   2.591311   5.138304   2.991372   2.510535
    17  H    2.728540   4.628086   4.545533   3.792534   2.502695
    18  H    3.481975   4.141418   3.039330   3.238382   2.482387
    19  H    2.806574   4.163722   3.469579   2.628981   3.059843
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.962347   0.000000
    13  H    3.451806   1.635838   0.000000
    14  H    5.934566   4.851668   4.200493   0.000000
    15  H    5.813757   4.105235   4.083923   1.764728   0.000000
    16  H    5.582674   3.430631   2.999894   1.772053   1.766167
    17  H    4.855189   5.474300   4.822226   2.533317   3.040056
    18  H    3.304678   4.810941   4.279408   3.758710   3.783978
    19  H    4.588659   4.776803   4.664639   3.182354   2.597593
                   16         17         18         19
    16  H    0.000000
    17  H    3.745380   0.000000
    18  H    4.330840   1.761086   0.000000
    19  H    3.792310   1.764386   1.764500   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.72D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.066458   -1.742250    0.058829
      2          6           0        1.144781   -0.237615    0.319196
      3          6           0        0.017403    0.519585   -0.407509
      4          6           0       -1.339934   -0.122015   -0.159849
      5          8           0       -1.699602   -0.061835    1.148390
      6          6           0        2.507306    0.318287   -0.090613
      7          7           0        0.026381    1.937057   -0.047760
      8          8           0       -2.052705   -0.609463   -0.998100
      9          1           0        0.182303    0.443607   -1.483828
     10          1           0        1.004355   -0.066187    1.392046
     11          1           0       -2.578745   -0.464892    1.218746
     12          1           0       -0.631756    2.459844   -0.613015
     13          1           0       -0.239946    2.056537    0.923147
     14          1           0        3.302392   -0.158123    0.485808
     15          1           0        2.698710    0.120238   -1.148924
     16          1           0        2.557607    1.394116    0.066259
     17          1           0        1.885722   -2.256885    0.562881
     18          1           0        0.132400   -2.176666    0.418486
     19          1           0        1.144663   -1.956563   -1.009918
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.8491417           1.5403062           1.2504232
 Leave Link  202 at Mon Sep 27 14:05:08 2021, MaxMem=  5637144576 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 312 were deleted.
 There are   299 symmetry adapted cartesian basis functions of A   symmetry.
 There are   283 symmetry adapted basis functions of A   symmetry.
   283 basis functions,   508 primitive gaussians,   299 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       407.3201849877 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.337000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.337000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Sep 27 14:05:11 2021, MaxMem=  5637144576 cpu:              17.7 elap:               2.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   283 RedAO= T EigKep=  6.67D-06  NBF=   283
 NBsUse=   283 1.00D-06 EigRej= -1.00D+00 NBFU=   283
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   299   299   299   299   299 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Mon Sep 27 14:05:12 2021, MaxMem=  5637144576 cpu:               4.7 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Sep 27 14:05:12 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer05_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Sep 27 14:05:13 2021, MaxMem=  5637144576 cpu:               4.1 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636960417 LenY=  5636870575
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -401.228429614634    
 DIIS: error= 3.01D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -401.228429614634     IErMin= 1 ErrMin= 3.01D-03
 ErrMax= 3.01D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-02 BMatP= 1.07D-02
 IDIUse=3 WtCom= 9.70D-01 WtEn= 3.01D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.427 Goal=   None    Shift=    0.000
 GapD=    0.427 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.26D-02 MaxDP=1.07D+00              OVMax= 1.94D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.23D-02    CP:  1.10D+00
 E= -401.238017751723     Delta-E=       -0.009588137088 Rises=F Damp=F
 DIIS: error= 1.68D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -401.238017751723     IErMin= 2 ErrMin= 1.68D-03
 ErrMax= 1.68D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.40D-03 BMatP= 1.07D-02
 IDIUse=3 WtCom= 9.83D-01 WtEn= 1.68D-02
 Coeff-Com:  0.133D+00 0.867D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.131D+00 0.869D+00
 Gap=     0.381 Goal=   None    Shift=    0.000
 RMSDP=1.92D-03 MaxDP=1.67D-01 DE=-9.59D-03 OVMax= 8.99D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.47D-04    CP:  1.12D+00  1.14D+00
 E= -401.238447007727     Delta-E=       -0.000429256005 Rises=F Damp=F
 DIIS: error= 1.50D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -401.238447007727     IErMin= 3 ErrMin= 1.50D-03
 ErrMax= 1.50D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-03 BMatP= 1.40D-03
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.50D-02
 Coeff-Com: -0.408D-01 0.473D+00 0.568D+00
 Coeff-En:   0.000D+00 0.371D+00 0.629D+00
 Coeff:     -0.402D-01 0.472D+00 0.569D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=5.89D-04 MaxDP=5.37D-02 DE=-4.29D-04 OVMax= 4.74D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.42D-04    CP:  1.12D+00  1.18D+00  1.11D+00
 E= -401.239205606274     Delta-E=       -0.000758598546 Rises=F Damp=F
 DIIS: error= 1.75D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -401.239205606274     IErMin= 4 ErrMin= 1.75D-04
 ErrMax= 1.75D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.15D-05 BMatP= 1.08D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.75D-03
 Coeff-Com: -0.170D-01 0.114D+00 0.184D+00 0.719D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.170D-01 0.114D+00 0.184D+00 0.720D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=1.33D-04 MaxDP=6.78D-03 DE=-7.59D-04 OVMax= 1.39D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.41D-05    CP:  1.12D+00  1.19D+00  1.20D+00  1.07D+00
 E= -401.239221792434     Delta-E=       -0.000016186160 Rises=F Damp=F
 DIIS: error= 1.32D-04 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -401.239221792434     IErMin= 5 ErrMin= 1.32D-04
 ErrMax= 1.32D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.82D-06 BMatP= 2.15D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.32D-03
 Coeff-Com:  0.999D-03-0.541D-01-0.384D-01 0.391D+00 0.700D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.519D-01 0.948D+00
 Coeff:      0.997D-03-0.540D-01-0.383D-01 0.391D+00 0.701D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=6.64D-05 MaxDP=3.28D-03 DE=-1.62D-05 OVMax= 8.58D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.88D-05    CP:  1.12D+00  1.19D+00  1.24D+00  1.15D+00  1.30D+00
 E= -401.239228859381     Delta-E=       -0.000007066947 Rises=F Damp=F
 DIIS: error= 1.99D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -401.239228859381     IErMin= 6 ErrMin= 1.99D-05
 ErrMax= 1.99D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.11D-07 BMatP= 7.82D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.171D-02-0.272D-01-0.277D-01 0.736D-01 0.237D+00 0.742D+00
 Coeff:      0.171D-02-0.272D-01-0.277D-01 0.736D-01 0.237D+00 0.742D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=1.34D-05 MaxDP=1.08D-03 DE=-7.07D-06 OVMax= 3.04D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.95D-06    CP:  1.12D+00  1.19D+00  1.25D+00  1.16D+00  1.39D+00
                    CP:  1.22D+00
 E= -401.239229268837     Delta-E=       -0.000000409456 Rises=F Damp=F
 DIIS: error= 5.53D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -401.239229268837     IErMin= 7 ErrMin= 5.53D-06
 ErrMax= 5.53D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.72D-08 BMatP= 3.11D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.241D-03 0.132D-02-0.806D-03-0.353D-01-0.345D-01 0.175D+00
 Coeff-Com:  0.894D+00
 Coeff:      0.241D-03 0.132D-02-0.806D-03-0.353D-01-0.345D-01 0.175D+00
 Coeff:      0.894D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=5.40D-06 MaxDP=6.62D-04 DE=-4.09D-07 OVMax= 1.67D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.84D-06    CP:  1.12D+00  1.19D+00  1.25D+00  1.16D+00  1.44D+00
                    CP:  1.28D+00  1.19D+00
 E= -401.239229331864     Delta-E=       -0.000000063027 Rises=F Damp=F
 DIIS: error= 1.98D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -401.239229331864     IErMin= 8 ErrMin= 1.98D-06
 ErrMax= 1.98D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.28D-09 BMatP= 2.72D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.141D-03 0.285D-02 0.265D-02-0.133D-01-0.282D-01-0.451D-01
 Coeff-Com:  0.126D+00 0.956D+00
 Coeff:     -0.141D-03 0.285D-02 0.265D-02-0.133D-01-0.282D-01-0.451D-01
 Coeff:      0.126D+00 0.956D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=1.74D-06 MaxDP=1.33D-04 DE=-6.30D-08 OVMax= 7.72D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  9.11D-07    CP:  1.12D+00  1.19D+00  1.25D+00  1.16D+00  1.44D+00
                    CP:  1.29D+00  1.26D+00  1.17D+00
 E= -401.239229339638     Delta-E=       -0.000000007774 Rises=F Damp=F
 DIIS: error= 8.63D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -401.239229339638     IErMin= 9 ErrMin= 8.63D-07
 ErrMax= 8.63D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.05D-10 BMatP= 2.28D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.631D-04 0.706D-03 0.882D-03-0.428D-03-0.460D-02-0.335D-01
 Coeff-Com: -0.657D-01 0.308D+00 0.795D+00
 Coeff:     -0.631D-04 0.706D-03 0.882D-03-0.428D-03-0.460D-02-0.335D-01
 Coeff:     -0.657D-01 0.308D+00 0.795D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=4.07D-07 MaxDP=2.96D-05 DE=-7.77D-09 OVMax= 2.46D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.32D-07    CP:  1.12D+00  1.19D+00  1.24D+00  1.16D+00  1.44D+00
                    CP:  1.29D+00  1.28D+00  1.25D+00  1.08D+00
 E= -401.239229340795     Delta-E=       -0.000000001157 Rises=F Damp=F
 DIIS: error= 3.15D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -401.239229340795     IErMin=10 ErrMin= 3.15D-07
 ErrMax= 3.15D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.97D-11 BMatP= 5.05D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.867D-05-0.351D-03-0.257D-03 0.240D-02 0.441D-02 0.346D-03
 Coeff-Com: -0.408D-01-0.899D-01 0.163D+00 0.961D+00
 Coeff:      0.867D-05-0.351D-03-0.257D-03 0.240D-02 0.441D-02 0.346D-03
 Coeff:     -0.408D-01-0.899D-01 0.163D+00 0.961D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=2.05D-07 MaxDP=1.44D-05 DE=-1.16D-09 OVMax= 1.34D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.14D-07    CP:  1.12D+00  1.19D+00  1.24D+00  1.16D+00  1.44D+00
                    CP:  1.29D+00  1.28D+00  1.27D+00  1.14D+00  1.34D+00
 E= -401.239229340992     Delta-E=       -0.000000000197 Rises=F Damp=F
 DIIS: error= 1.08D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -401.239229340992     IErMin=11 ErrMin= 1.08D-07
 ErrMax= 1.08D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.37D-12 BMatP= 5.97D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.937D-05-0.177D-03-0.175D-03 0.688D-03 0.172D-02 0.411D-02
 Coeff-Com: -0.371D-02-0.579D-01-0.591D-01 0.262D+00 0.853D+00
 Coeff:      0.937D-05-0.177D-03-0.175D-03 0.688D-03 0.172D-02 0.411D-02
 Coeff:     -0.371D-02-0.579D-01-0.591D-01 0.262D+00 0.853D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=7.86D-08 MaxDP=6.31D-06 DE=-1.97D-10 OVMax= 3.68D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  4.51D-08    CP:  1.12D+00  1.19D+00  1.25D+00  1.16D+00  1.44D+00
                    CP:  1.29D+00  1.28D+00  1.26D+00  1.16D+00  1.46D+00
                    CP:  1.23D+00
 E= -401.239229341038     Delta-E=       -0.000000000046 Rises=F Damp=F
 DIIS: error= 5.05D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -401.239229341038     IErMin=12 ErrMin= 5.05D-08
 ErrMax= 5.05D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.21D-12 BMatP= 9.37D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.110D-05 0.165D-04-0.121D-05-0.229D-03-0.336D-03 0.871D-03
 Coeff-Com:  0.558D-02 0.322D-02-0.410D-01-0.960D-01 0.160D+00 0.968D+00
 Coeff:      0.110D-05 0.165D-04-0.121D-05-0.229D-03-0.336D-03 0.871D-03
 Coeff:      0.558D-02 0.322D-02-0.410D-01-0.960D-01 0.160D+00 0.968D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=3.58D-08 MaxDP=2.95D-06 DE=-4.56D-11 OVMax= 1.55D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.80D-08    CP:  1.12D+00  1.19D+00  1.25D+00  1.16D+00  1.44D+00
                    CP:  1.29D+00  1.28D+00  1.26D+00  1.15D+00  1.51D+00
                    CP:  1.37D+00  1.17D+00
 E= -401.239229341040     Delta-E=       -0.000000000002 Rises=F Damp=F
 DIIS: error= 2.17D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -401.239229341040     IErMin=13 ErrMin= 2.17D-08
 ErrMax= 2.17D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.60D-13 BMatP= 1.21D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.118D-05 0.280D-04 0.238D-04-0.139D-03-0.307D-03-0.382D-03
 Coeff-Com:  0.163D-02 0.842D-02-0.499D-03-0.511D-01-0.882D-01 0.176D+00
 Coeff-Com:  0.955D+00
 Coeff:     -0.118D-05 0.280D-04 0.238D-04-0.139D-03-0.307D-03-0.382D-03
 Coeff:      0.163D-02 0.842D-02-0.499D-03-0.511D-01-0.882D-01 0.176D+00
 Coeff:      0.955D+00
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=1.21D-08 MaxDP=9.17D-07 DE=-1.59D-12 OVMax= 6.09D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  6.10D-09    CP:  1.12D+00  1.19D+00  1.25D+00  1.16D+00  1.44D+00
                    CP:  1.29D+00  1.28D+00  1.26D+00  1.15D+00  1.52D+00
                    CP:  1.40D+00  1.28D+00  1.22D+00
 E= -401.239229341045     Delta-E=       -0.000000000005 Rises=F Damp=F
 DIIS: error= 6.42D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -401.239229341045     IErMin=14 ErrMin= 6.42D-09
 ErrMax= 6.42D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.91D-14 BMatP= 1.60D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.237D-06 0.252D-06 0.226D-05 0.185D-04 0.140D-04-0.143D-03
 Coeff-Com: -0.561D-03 0.190D-03 0.518D-02 0.864D-02-0.282D-01-0.120D+00
 Coeff-Com:  0.108D+00 0.103D+01
 Coeff:     -0.237D-06 0.252D-06 0.226D-05 0.185D-04 0.140D-04-0.143D-03
 Coeff:     -0.561D-03 0.190D-03 0.518D-02 0.864D-02-0.282D-01-0.120D+00
 Coeff:      0.108D+00 0.103D+01
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=3.52D-09 MaxDP=1.75D-07 DE=-5.46D-12 OVMax= 2.21D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -401.239229341     A.U. after   14 cycles
            NFock= 14  Conv=0.35D-08     -V/T= 2.0053
 KE= 3.991165721244D+02 PE=-1.752918121289D+03 EE= 5.452421348354D+02
 Leave Link  502 at Mon Sep 27 14:09:29 2021, MaxMem=  5637144576 cpu:            2039.2 elap:             255.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   283
 NBasis=   283 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    283 NOA=    32 NOB=    32 NVA=   251 NVB=   251

 **** Warning!!: The largest alpha MO coefficient is  0.72671527D+02

 Leave Link  801 at Mon Sep 27 14:09:29 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5894 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 1.88D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 1.57D-01 4.93D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 2.22D-02 2.54D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 2.18D-03 8.74D-03.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 1.27D-04 1.95D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 4.24D-06 2.29D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 1.43D-07 4.97D-05.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 4.11D-09 8.37D-06.
     11 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 9.21D-11 1.04D-06.
     10 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 1.39D-12 1.32D-07.
      4 vectors produced by pass 10 Test12= 1.34D-13 8.33D-09 XBig12= 1.74D-14 1.24D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   113 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.881908D+02
      2  0.301652D+01  0.797801D+02
      3  0.356615D+00  0.131154D+01  0.739988D+02
 Isotropic polarizability for W=    0.088559       80.66 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.772407D+02 -0.190287D+02  0.555107D+01
      2  -0.307623D+02  0.177903D+02  0.327825D+01
      3  -0.464784D+02  0.123838D+01 -0.882932D+01
      4  -0.224766D+02  0.688819D+02 -0.834919D+01
      5   0.192400D-01 -0.916445D+01  0.253009D+02
      6  -0.306509D+01 -0.196010D+01 -0.127630D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.428748D+00 -0.461591D+01  0.244468D+01
      2   0.218454D+01 -0.312394D+01  0.209068D+02
      3   0.671096D+01 -0.380078D+02  0.320797D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.815260D+00 -0.523836D+01  0.140014D+02
      2   0.553183D+01 -0.528410D+01  0.717792D+02
      3  -0.344788D+01 -0.996443D+02  0.609936D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.161797D+00  0.644525D+00 -0.969715D+00
      2   0.644525D+00  0.685872D-01  0.792137D+00
      3  -0.969715D+00  0.792137D+00 -0.251502D+00
 OR G Eigenvalues:    -1.7485     0.6075     0.7964  Iso=     0.1149
 Eigenvectors:
   (1)   0.590804  -0.489230   0.641564
   (2)   0.608151   0.792581   0.044355
   (3)  -0.530192   0.363963   0.765786
 w=    0.088559 a.u., Optical Rotation Beta=      0.1149 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =       49.74 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40186 ScalPx= 9.68D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 8.48D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 3.60D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 2.49D-02 2.07D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 1.42D-03 4.68D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 1.99D-05 3.79D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 3.18D-07 6.73D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 2.76D-09 5.02D-06.
     30 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 2.01D-11 4.04D-07.
     30 vectors produced by pass  7 Test12= 2.23D-14 2.78D-09 XBig12= 1.46D-13 3.05D-08.
      1 vectors produced by pass  8 Test12= 2.23D-14 2.78D-09 XBig12= 8.33D-16 2.83D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   241 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 5.36D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 5.36D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.48D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.881908D+02  0.301652D+01  0.356615D+00
      2   0.301652D+01  0.797801D+02  0.131154D+01
      3   0.356615D+00  0.131154D+01  0.739988D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.428748D+00 -0.461591D+01  0.244468D+01
      2   0.218454D+01 -0.312394D+01  0.209068D+02
      3   0.671096D+01 -0.380078D+02  0.320797D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.772407D+02 -0.190287D+02  0.555107D+01
      2  -0.307623D+02  0.177903D+02  0.327825D+01
      3  -0.464784D+02  0.123838D+01 -0.882932D+01
      4  -0.224766D+02  0.688819D+02 -0.834919D+01
      5   0.192400D-01 -0.916445D+01  0.253009D+02
      6  -0.306509D+01 -0.196010D+01 -0.127630D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.938894D+00  0.460983D+01 -0.314706D+01  0.421300D+01 -0.679644D+00
      2   0.460983D+01 -0.941313D+00  0.418991D+00 -0.679644D+00 -0.272412D+01
      3  -0.314706D+01  0.418991D+00 -0.923372D+00  0.328153D+00 -0.110048D+01
                 6             7             8             9            10 
      1   0.328153D+00 -0.346576D+01  0.490168D+00 -0.115709D+01  0.376772D+00
      2  -0.110048D+01  0.490168D+00 -0.167217D+01  0.278865D+01 -0.396430D+01
      3   0.214157D+01 -0.115709D+01  0.278865D+01  0.505537D+01  0.179974D+01
                11            12            13            14            15 
      1  -0.396430D+01  0.179974D+01 -0.528568D+01  0.840385D+00 -0.148205D+00
      2   0.134663D+01  0.188194D-01  0.840385D+00  0.415038D+01  0.666547D+00
      3   0.188194D-01  0.129153D+01 -0.148205D+00  0.666547D+00 -0.149150D+01
                16            17            18            19            20 
      1   0.327612D+01  0.166865D-01  0.186758D+01 -0.803397D+00  0.410041D+01
      2   0.166865D-01  0.118832D+01 -0.186342D+01  0.410041D+01  0.270004D+00
      3   0.186758D+01 -0.186342D+01 -0.776171D+01 -0.211253D+01 -0.245955D+00
                21            22            23            24            25 
      1  -0.211253D+01  0.271771D+01 -0.133763D+01 -0.399717D+00 -0.254187D+01
      2  -0.245955D+00 -0.133763D+01 -0.393612D+01 -0.118892D+01 -0.801100D-01
      3  -0.860715D+00 -0.399717D+00 -0.118892D+01  0.118298D+01 -0.127144D+01
                26            27            28            29            30 
      1  -0.801100D-01 -0.127144D+01  0.489196D+00  0.694558D-01  0.330568D+01
      2  -0.178305D+01  0.947513D+00  0.694558D-01  0.201396D+01  0.136687D+01
      3   0.947513D+00  0.644981D+01  0.330568D+01  0.136687D+01  0.260958D+01
                31            32            33            34            35 
      1   0.111493D+01  0.125388D+01  0.147063D+01  0.469949D+01  0.193074D+01
      2   0.125388D+01  0.513874D+00  0.144361D+01  0.193074D+01  0.214909D+01
      3   0.147063D+01  0.144361D+01  0.116009D+01  0.209846D+01  0.541057D+00
                36            37            38            39            40 
      1   0.209846D+01  0.546889D+01  0.187943D+01 -0.861843D+00  0.267244D+01
      2   0.541057D+00  0.187943D+01  0.660408D+00 -0.100702D+01  0.404501D+00
      3   0.150249D+00 -0.861843D+00 -0.100702D+01  0.113230D+01 -0.126306D+01
                41            42            43            44            45 
      1   0.404501D+00 -0.126306D+01  0.404499D+00 -0.490876D+00 -0.857693D+00
      2   0.112265D+01  0.105064D+01 -0.490876D+00  0.185257D+01  0.219631D+00
      3   0.105064D+01  0.862906D+00 -0.857693D+00  0.219631D+00  0.507562D+01
                46            47            48            49            50 
      1  -0.492053D-01  0.351075D+01 -0.245581D+01  0.410465D+01 -0.122561D+01
      2   0.351075D+01 -0.476924D+00  0.497589D+00 -0.122561D+01 -0.525920D+01
      3  -0.245581D+01  0.497589D+00 -0.226001D+01  0.635808D+00 -0.136687D+01
                51            52            53            54            55 
      1   0.635808D+00 -0.383857D+01  0.353824D+00 -0.314917D+01  0.283891D+01
      2  -0.136687D+01  0.353824D+00 -0.138337D+01  0.152426D+01 -0.254505D+01
      3   0.176978D+01 -0.314917D+01  0.152426D+01  0.530151D+01  0.121886D+01
                56            57            58            59            60 
      1  -0.254505D+01  0.121886D+01 -0.867207D+00  0.242839D+01 -0.405379D+00
      2   0.209102D+01 -0.631789D+00  0.242839D+01  0.431226D+01  0.100977D+01
      3  -0.631789D+00  0.245311D+01 -0.405379D+00  0.100977D+01 -0.100285D+01
                61            62            63            64            65 
      1   0.175274D+01 -0.799206D+00  0.278224D+01 -0.706321D+01 -0.255269D+01
      2  -0.799206D+00  0.102601D+01 -0.839817D+00 -0.255269D+01 -0.258700D+01
      3   0.278224D+01 -0.839817D+00 -0.326843D+01 -0.414115D+01 -0.105149D+01
                66            67            68            69            70 
      1  -0.414115D+01 -0.294313D+01 -0.227565D+01 -0.108337D+01 -0.548983D+01
      2  -0.105149D+01 -0.227565D+01 -0.304444D+01 -0.276502D+01 -0.174169D+01
      3  -0.350301D+01 -0.108337D+01 -0.276502D+01 -0.194183D+01 -0.378237D+01
                71            72            73            74            75 
      1  -0.174169D+01 -0.378237D+01  0.627218D+00 -0.533706D+00 -0.845735D+00
      2  -0.349739D+01 -0.197032D+01 -0.533706D+00  0.392838D+00  0.162161D-01
      3  -0.197032D+01 -0.699487D+01 -0.845735D+00  0.162161D-01  0.915875D+00
                76            77            78            79            80 
      1  -0.647115D+00  0.206312D+00  0.312170D-01 -0.149574D+01  0.158866D+00
      2   0.206312D+00  0.372459D+00 -0.945981D+00  0.158866D+00 -0.146624D+01
      3   0.312170D-01 -0.945981D+00 -0.377336D+00  0.412180D+00  0.249763D-01
                81            82            83            84            85 
      1   0.412180D+00 -0.635791D+00  0.844954D+00  0.871351D+00  0.982691D+00
      2   0.249763D-01  0.844954D+00 -0.398164D+00 -0.360050D-01 -0.230121D+00
      3  -0.703034D+01  0.871351D+00 -0.360050D-01 -0.480662D+00 -0.827890D-02
                86            87            88            89            90 
      1  -0.230121D+00 -0.827890D-02  0.157168D+01 -0.101455D+00 -0.364378D+00
      2  -0.124951D+00  0.108466D+01 -0.101455D+00  0.177978D+01  0.810736D+00
      3   0.108466D+01  0.957057D+00 -0.364378D+00  0.810736D+00  0.784915D+01
                91            92            93            94            95 
      1  -0.750966D+01 -0.181768D+01  0.296483D+01 -0.256492D+01 -0.148457D+01
      2  -0.181768D+01 -0.147102D+01  0.738120D+00 -0.148457D+01 -0.102512D+01
      3   0.296483D+01  0.738120D+00 -0.256550D+01  0.112202D+01  0.853712D+00
                96            97            98            99           100 
      1   0.112202D+01  0.987005D+00  0.223457D+00 -0.101356D+01 -0.233040D+01
      2   0.853712D+00  0.223457D+00  0.440255D+00 -0.309782D+00  0.257742D+01
      3  -0.109834D+01 -0.101356D+01 -0.309782D+00  0.151240D+01 -0.111626D+01
               101           102           103           104           105 
      1   0.257742D+01 -0.111626D+01  0.243916D+01 -0.230515D+01  0.923938D+00
      2  -0.345091D+01  0.119198D+01 -0.230515D+01  0.444471D+01 -0.124693D+01
      3   0.119198D+01 -0.129301D+01  0.923938D+00 -0.124693D+01  0.124040D+01
               106           107           108           109           110 
      1  -0.214299D+01  0.157642D+01 -0.136898D+01 -0.329327D+00  0.717879D+00
      2   0.157642D+01 -0.290415D+01  0.170586D+01  0.717879D+00 -0.627038D+00
      3  -0.136898D+01  0.170586D+01 -0.177234D+01  0.364971D+00 -0.545202D+00
               111           112           113           114           115 
      1   0.364971D+00  0.614900D+00 -0.264239D+00 -0.453982D+00  0.156197D+01
      2  -0.545202D+00 -0.264239D+00  0.124868D+01  0.765754D+00 -0.597307D+00
      3  -0.926804D+00 -0.453982D+00  0.765754D+00  0.943277D+00 -0.118035D+01
               116           117           118           119           120 
      1  -0.597307D+00 -0.118035D+01  0.701315D+01 -0.163028D+01  0.231232D+01
      2   0.269284D+01  0.193158D+01 -0.163028D+01  0.134463D+01 -0.527734D+00
      3   0.193158D+01  0.520605D+01  0.231232D+01 -0.527734D+00  0.190982D+01
               121           122           123           124           125 
      1  -0.341851D+01  0.160757D+01 -0.815111D+00  0.406899D+01 -0.640990D+00
      2   0.160757D+01 -0.891592D+00  0.855764D+00 -0.640990D+00  0.119019D+01
      3  -0.815111D+00  0.855764D+00 -0.110865D+01  0.235438D+01 -0.762592D+00
               126           127           128           129           130 
      1   0.235438D+01  0.135910D+01 -0.354142D+00 -0.991355D+00 -0.105852D+01
      2  -0.762592D+00 -0.354142D+00  0.268713D+00  0.190518D-01  0.527783D+00
      3   0.161579D+01 -0.991355D+00  0.190518D-01  0.117039D+01  0.261148D+00
               131           132           133           134           135 
      1   0.527783D+00  0.261148D+00 -0.279182D+01 -0.754371D-01  0.262605D+01
      2   0.522809D-01 -0.778982D+00 -0.754371D-01 -0.140765D+01 -0.351546D+00
      3  -0.778982D+00 -0.100257D+01  0.262605D+01 -0.351546D+00 -0.688199D+01
               136           137           138           139           140 
      1   0.270602D+00  0.107994D+01  0.363967D+00  0.267764D+01  0.180471D+01
      2   0.107994D+01  0.998067D+00  0.457473D-01  0.180471D+01  0.762801D+01
      3   0.363967D+00  0.457473D-01  0.350762D+00  0.623333D-01  0.638811D+00
               141           142           143           144           145 
      1   0.623333D-01  0.789996D+00  0.169489D+00  0.709553D+00  0.432969D+01
      2   0.638811D+00  0.169489D+00  0.887584D+00  0.805569D+00 -0.303178D+01
      3   0.108707D+01  0.709553D+00  0.805569D+00 -0.555656D-01  0.172731D+01
               146           147           148           149           150 
      1  -0.303178D+01  0.172731D+01 -0.229894D+01  0.227456D+01 -0.791894D+00
      2   0.349803D+01 -0.106904D+01  0.227456D+01 -0.333444D+01  0.130542D+01
      3  -0.106904D+01  0.160496D+01 -0.791894D+00  0.130542D+01 -0.119434D+01
               151           152           153           154           155 
      1   0.222142D+01 -0.124364D+01  0.146480D+01 -0.519161D+01 -0.211996D+01
      2  -0.124364D+01  0.230365D+01 -0.165526D+01 -0.211996D+01 -0.329281D+01
      3   0.146480D+01 -0.165526D+01  0.135370D+01  0.130366D+01  0.678065D+00
               156           157           158           159           160 
      1   0.130366D+01 -0.187703D+01 -0.175174D+01  0.485167D+00  0.171007D+01
      2   0.678065D+00 -0.175174D+01 -0.244590D+01  0.808736D+00  0.557433D+00
      3  -0.113061D+01  0.485167D+00  0.808736D+00 -0.929170D+00 -0.820792D+00
               161           162           163           164           165 
      1   0.557433D+00 -0.820792D+00  0.200189D+00 -0.840457D+00 -0.560941D+00
      2   0.147898D+01 -0.115242D+01 -0.840457D+00  0.360899D+00  0.122777D+00
      3  -0.115242D+01  0.587841D+00 -0.560941D+00  0.122777D+00  0.505367D+00
               166           167           168           169           170 
      1  -0.576059D+00  0.206259D+00  0.485799D-01 -0.127741D+01  0.293621D+00
      2   0.206259D+00 -0.105941D+01 -0.109023D+01  0.293621D+00 -0.287522D+01
      3   0.485799D-01 -0.109023D+01 -0.119854D+01  0.650592D+00 -0.239468D+01
               171 
      1   0.650592D+00
      2  -0.239468D+01
      3  -0.639223D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.673169D+01  0.784868D+00 -0.165281D+01  0.382894D+00 -0.499852D+01
      2  -0.370521D+01  0.112264D+01  0.812844D+00  0.560755D+00 -0.935719D+00
      3  -0.868117D+01 -0.135080D+02  0.653855D+01 -0.737293D+01  0.486643D+01
                 6             7             8             9            10 
      1   0.281344D+01 -0.257445D+01  0.950564D+01  0.105810D+02 -0.331486D+00
      2   0.252630D+01 -0.337687D+01  0.338913D+01  0.606104D+01  0.284703D+01
      3   0.699546D+00  0.710265D+01  0.273436D+00 -0.133933D+01  0.669502D+01
                11            12            13            14            15 
      1  -0.145564D+00  0.340083D+00 -0.103038D+01  0.224491D+01 -0.292683D+01
      2  -0.942942D-01  0.459080D+01 -0.790773D+00  0.610388D+00 -0.194971D+01
      3  -0.310641D+01  0.910313D-01  0.290123D+01 -0.544401D+01 -0.112948D+01
                16            17            18            19            20 
      1   0.756017D+00  0.349936D+01 -0.235322D+01 -0.132790D+01 -0.185302D+01
      2  -0.182765D+01 -0.247440D+01 -0.100113D+02  0.345689D+01 -0.228542D+00
      3   0.162231D+01 -0.185067D+01  0.228888D+01 -0.168826D+01 -0.318587D+01
                21            22            23            24            25 
      1  -0.299850D+00 -0.148823D+01  0.259006D+01  0.469863D+00  0.921310D+00
      2   0.398810D+00  0.173332D+01 -0.263629D+00  0.165093D+00 -0.624012D+01
      3  -0.110321D+00 -0.578805D+00 -0.472231D+01  0.192252D+01 -0.294612D+01
                26            27            28            29            30 
      1   0.489061D+01 -0.270458D+01 -0.218157D+01 -0.329082D+01  0.390259D+01
      2  -0.444810D-01 -0.764976D+00 -0.331033D+01 -0.201090D+00 -0.934320D+00
      3   0.167627D+01 -0.848559D+00 -0.834383D+01  0.547306D+01  0.939105D+00
                31            32            33            34            35 
      1   0.160728D+01 -0.159117D+01 -0.938850D+01  0.134219D+01 -0.588386D+01
      2   0.311375D+01 -0.176737D+01 -0.647571D+01  0.288637D+00 -0.269254D+01
      3   0.193566D+02  0.130337D+02 -0.695993D+00 -0.890670D+00 -0.237171D+01
                36            37            38            39            40 
      1   0.389493D+01  0.174910D+01 -0.281804D+00  0.590893D-01  0.173853D+00
      2  -0.287936D+01 -0.324436D+01  0.143968D+00  0.283843D-01 -0.664780D+00
      3   0.778942D+00  0.350205D+01 -0.533586D+00 -0.159482D+01  0.425169D+00
                41            42            43            44            45 
      1   0.924904D+00 -0.325572D+00 -0.136248D+00  0.581373D+01  0.481145D+00
      2  -0.341681D+01 -0.903322D+00 -0.683545D+01 -0.143988D+01 -0.868535D+01
      3   0.756608D+00  0.327901D+01  0.695466D-01  0.360292D+01  0.907849D+00
                46            47            48            49            50 
      1   0.107913D+01  0.512809D+00  0.570424D+00  0.135225D+01  0.193341D+01
      2  -0.901392D+01  0.141713D+01 -0.535027D+01  0.247278D+01 -0.413180D+01
      3  -0.919370D+01  0.119158D+01 -0.232103D+01  0.921461D+01  0.169535D+02
                51            52            53            54            55 
      1  -0.247231D+01  0.138624D+01  0.133432D+01 -0.258581D+01 -0.152434D+01
      2   0.467100D+01 -0.129869D+02  0.392362D+01  0.146428D+02  0.887403D+00
      3   0.364817D+01 -0.364473D+01  0.418259D+01 -0.596049D+01  0.750778D+01
                56            57            58            59            60 
      1   0.319233D+01 -0.732916D+01  0.254339D+01 -0.389098D+01 -0.255034D+01
      2   0.175300D+01  0.431359D+01  0.304151D-01  0.407444D+00  0.134492D+01
      3  -0.122801D+02  0.163706D+01  0.234874D+01  0.561687D+01 -0.263909D+01
                61            62            63            64            65 
      1  -0.729769D+01  0.745580D+01  0.797830D+01  0.227645D+01  0.609678D+01
      2  -0.160296D+01  0.524620D+00 -0.105095D+01 -0.198798D+00 -0.365663D-01
      3   0.354662D+01 -0.222745D+01  0.680711D+01  0.252204D+01 -0.727388D+01
                66            67            68            69            70 
      1  -0.294596D+01 -0.217945D+00  0.264925D+01 -0.128035D+01  0.624027D+00
      2   0.926193D+01 -0.354298D+01  0.399435D+01  0.544091D+01 -0.255592D+01
      3  -0.709489D+00 -0.283881D+01 -0.825673D+01 -0.261577D+01  0.272295D+00
                71            72            73            74            75 
      1   0.815750D+01 -0.217865D+01  0.972814D+00 -0.373337D+00 -0.340368D+00
      2   0.291909D+01  0.117228D+02  0.669945D+00 -0.609961D+00  0.909508D+00
      3  -0.225585D+01 -0.222269D+01  0.630306D+00 -0.742013D+00 -0.496638D+00
                76            77            78            79            80 
      1   0.501103D-01  0.390290D+00 -0.375952D+00 -0.550438D+00  0.350338D+01
      2  -0.850121D+00  0.257791D+00 -0.664757D-01 -0.391472D+01  0.302749D+00
      3   0.118750D+01 -0.634107D-02 -0.141527D+00 -0.494872D+00  0.158008D+00
                81            82            83            84            85 
      1   0.323458D+01  0.992727D+00 -0.644087D+00 -0.102334D+00 -0.190332D+00
      2   0.787651D+00  0.219798D+01 -0.598557D+00 -0.367682D+00 -0.110940D+01
      3  -0.113407D+00 -0.905958D+00 -0.728473D+00 -0.264174D+00  0.132025D+01
                86            87            88            89            90 
      1   0.652667D+00 -0.450025D+00 -0.601309D+00  0.410188D+01  0.209620D+01
      2   0.173469D+01  0.109874D+01 -0.481005D+01  0.138997D+01  0.966613D+01
      3   0.728494D-01 -0.111210D+01 -0.111681D+00 -0.175911D+01 -0.609607D+00
                91            92            93            94            95 
      1  -0.117978D+01 -0.188275D+01 -0.417057D+00 -0.107320D+01 -0.142849D+01
      2   0.221295D+01  0.301784D+00  0.385680D+01  0.741535D+00 -0.279425D+00
      3  -0.165565D+01 -0.418937D+01  0.949434D+00 -0.146652D+01 -0.276159D+01
                96            97            98            99           100 
      1  -0.274714D+00  0.739895D+00  0.793639D+00 -0.459922D+00  0.244770D+01
      2   0.176188D+01 -0.705060D+00 -0.447668D-01 -0.633953D+00 -0.145608D+01
      3   0.887146D+00  0.625034D+00  0.865430D+00 -0.501605D+00 -0.678063D+01
               101           102           103           104           105 
      1  -0.246459D+01  0.416584D+01 -0.245146D+01  0.205667D+01 -0.351420D+01
      2  -0.152732D+00  0.866974D+00  0.234387D+00  0.648456D-01 -0.737958D+00
      3   0.419329D+01 -0.276172D+01  0.763486D+01 -0.486676D+01  0.261111D+01
               106           107           108           109           110 
      1   0.335335D+01 -0.209375D+01  0.369914D+01 -0.113759D+01  0.975733D+00
      2  -0.124843D+01 -0.265651D+00  0.480381D+00  0.757557D+00  0.112425D+00
      3  -0.613886D+01  0.337139D+01 -0.363540D+01 -0.100912D+01  0.515464D+00
               111           112           113           114           115 
      1   0.324986D+01  0.990318D+00 -0.241578D+01 -0.260666D+01  0.343740D+01
      2  -0.111255D+00  0.231905D+00 -0.365766D-02 -0.147798D+00 -0.274662D+01
      3   0.683321D+00  0.168673D+01 -0.101740D+01 -0.116498D+01  0.420248D+01
               116           117           118           119           120 
      1  -0.278237D+01 -0.133154D+02 -0.563935D+00  0.648615D+00 -0.930587D-02
      2   0.712851D-01  0.510293D+00  0.617801D+01 -0.182993D+01  0.785524D+01
      3  -0.124947D+01 -0.348439D+01  0.658227D+01 -0.683667D+01  0.274204D+01
               121           122           123           124           125 
      1  -0.643831D-01 -0.704194D+00 -0.554467D+00 -0.327766D+00  0.165766D+01
      2  -0.207687D+01  0.242790D+01 -0.430735D+01  0.511005D+01 -0.246610D+01
      3  -0.414122D+01  0.413811D+01 -0.260254D+01  0.303444D+01 -0.474506D+01
               126           127           128           129           130 
      1  -0.465310D-01  0.582259D+00 -0.296252D+00 -0.719621D+00  0.608820D-01
      2   0.523670D+01 -0.257608D+01 -0.452913D-01  0.456382D+01  0.343317D-01
      3   0.310545D+01  0.148756D+01 -0.182612D+01 -0.569690D+00 -0.627185D+00
               131           132           133           134           135 
      1   0.688473D+00 -0.325881D+00 -0.904275D+00  0.336694D+01  0.291374D+01
      2  -0.197355D+01 -0.282677D+01  0.354489D+01 -0.129918D+01 -0.198256D+02
      3   0.122503D+00  0.173749D+01 -0.564965D+00  0.462619D+01  0.248592D+01
               136           137           138           139           140 
      1  -0.195829D+00 -0.312888D+00 -0.545871D+00 -0.148854D+00 -0.826728D+00
      2   0.121340D+01 -0.463536D-01  0.124638D+01 -0.116226D+00  0.205907D+01
      3  -0.344048D+01 -0.193680D+01  0.694340D-01  0.100566D+01 -0.225988D+02
               141           142           143           144           145 
      1  -0.286769D+01 -0.648717D+00  0.465182D+00 -0.826482D-04  0.333887D+01
      2   0.376886D+01  0.359219D+00  0.207640D+01 -0.329735D+00  0.100646D+01
      3  -0.192826D+01  0.427732D+00 -0.250978D+01 -0.137023D+01 -0.628337D+01
               146           147           148           149           150 
      1  -0.110991D+01  0.451994D+01 -0.156630D+01  0.205827D+01 -0.365808D+01
      2  -0.110905D+01  0.353738D+01 -0.401269D+00  0.133897D+01 -0.214564D+01
      3  -0.645418D+00 -0.242840D+01  0.434690D+01 -0.317946D+00  0.369102D+00
               151           152           153           154           155 
      1   0.285563D+01 -0.145998D+01  0.276905D+01  0.276644D+01  0.427591D+00
      2   0.211265D+00 -0.191862D+01  0.191927D+01  0.281085D+01  0.617395D+00
      3  -0.417537D+01 -0.942060D+00 -0.856258D+00  0.165597D+02  0.524845D+01
               156           157           158           159           160 
      1  -0.347306D+01  0.679740D+00  0.113098D+01 -0.275660D+01 -0.207904D+01
      2   0.322449D+00  0.640498D+00  0.997852D+00 -0.118400D-01 -0.252453D+01
      3  -0.373979D+01  0.768527D+01  0.532419D+01 -0.192776D+01 -0.488327D+01
               161           162           163           164           165 
      1  -0.785145D+00  0.105412D+01 -0.103139D+01  0.162824D-01  0.102758D+01
      2  -0.923430D+00  0.316569D+00 -0.555308D+00  0.140106D+00  0.119811D+01
      3  -0.191754D+01  0.283976D+01  0.986931D+00  0.279462D+00  0.690140D+00
               166           167           168           169           170 
      1   0.211971D+00 -0.212011D+01 -0.395463D+01  0.121235D+01 -0.164907D+01
      2  -0.241252D+00 -0.112135D+01 -0.120513D+01 -0.223464D+01 -0.253671D+01
      3   0.200779D+01  0.616068D+00  0.982160D+00  0.294744D+01  0.307244D+01
               171 
      1  -0.144021D+02
      2  -0.734117D+01
      3   0.172807D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.995971D+01  0.108034D+02 -0.746390D+01  0.838574D+01 -0.108720D+02
      2  -0.164202D+02 -0.431067D+01  0.305411D+01 -0.262276D+01  0.146946D+02
      3   0.646047D+01 -0.649270D+01  0.440978D+01 -0.576298D+01 -0.382263D+01
      4   0.728152D+01 -0.191036D+02  0.126002D+02 -0.169436D+02 -0.208454D+01
      5  -0.707238D+01  0.583507D+01 -0.424453D+01  0.390990D+01 -0.319921D+01
      6   0.153375D+02 -0.173938D+01  0.390232D+01 -0.172749D+01  0.749918D+01
                 6             7             8             9            10 
      1  -0.665990D+00 -0.783751D+01  0.327506D+00  0.439972D+01 -0.110097D+02
      2   0.497591D+01  0.187888D+01  0.615278D+01 -0.476520D+01  0.823296D+01
      3  -0.430992D+01  0.595863D+01 -0.648029D+01  0.365483D+00  0.277673D+01
      4  -0.377165D+01  0.121042D+02 -0.568857D+01  0.955393D+01 -0.118995D+02
      5   0.550902D+01 -0.565763D+01  0.737816D+01  0.119081D+02  0.503571D+01
      6  -0.858501D+01  0.490517D+01 -0.124813D+02 -0.187569D+02 -0.234241D+01
                11            12            13            14            15 
      1  -0.126313D+02  0.344584D+01 -0.152907D+02  0.972044D+01  0.164248D+01
      2   0.672010D+01 -0.382257D+01  0.917619D+01 -0.109500D+02  0.101664D+00
      3   0.591117D+01  0.376723D+00  0.611447D+01  0.122951D+01 -0.174414D+01
      4   0.480791D+01 -0.113329D+01  0.540988D+01  0.774891D+01  0.155599D+01
      5  -0.213465D+00  0.289543D+01 -0.196686D+00  0.154047D+01 -0.452519D+01
      6   0.495690D+00 -0.121478D+01  0.778108D+00 -0.204780D+01  0.241394D+00
                16            17            18            19            20 
      1   0.828109D+01  0.224035D+01  0.898821D+01 -0.119372D+02 -0.507108D+01
      2  -0.421455D+01  0.133117D+00  0.514800D+01  0.125589D+02  0.859448D+01
      3  -0.406654D+01 -0.237347D+01 -0.141362D+02 -0.621652D+00 -0.352340D+01
      4  -0.140075D+01  0.195731D+01 -0.443014D+01  0.147883D+01  0.303310D+01
      5   0.820119D+01 -0.376844D+01 -0.181772D+02  0.612672D+01  0.101895D+01
      6  -0.682540D+00  0.486508D+01  0.241511D+00  0.165717D+01 -0.165462D+00
                21            22            23            24            25 
      1   0.219348D+01  0.684913D+01  0.990931D+01  0.483855D+01 -0.311779D+01
      2  -0.267289D+01 -0.605698D+01 -0.183821D+02 -0.237144D+01 -0.767250D+00
      3   0.479409D+00 -0.792153D+00  0.847279D+01 -0.246711D+01  0.388504D+01
      4   0.235651D+01 -0.995338D+01 -0.362341D+00  0.174065D+01  0.852330D+00
      5   0.216768D+00  0.317237D+01  0.401962D+01  0.233081D+00  0.669116D+00
      6   0.497660D+00  0.190024D+01 -0.504007D+00 -0.253485D+01 -0.870404D-01
                26            27            28            29            30 
      1   0.401821D+01  0.598801D+01 -0.806847D+01 -0.909502D-01 -0.704312D+01
      2  -0.498628D+01  0.795938D+01  0.926767D+01 -0.157300D+00  0.577081D+01
      3   0.968067D+00 -0.139474D+02 -0.119920D+01  0.248250D+00  0.127232D+01
      4  -0.282409D+01  0.307487D+00 -0.541881D+01 -0.523374D+01 -0.638772D+01
      5   0.669992D+00  0.237952D+01 -0.172587D+02 -0.741997D+01 -0.193159D+02
      6   0.201499D+01  0.573427D+01 -0.493924D+01 -0.338242D+01 -0.570120D+01
                31            32            33            34            35 
      1  -0.480780D+01 -0.454752D+01 -0.361596D+01 -0.205811D+02 -0.844022D+01
      2   0.169516D+01  0.703163D+01  0.518495D+01  0.877320D+01  0.444578D+00
      3   0.311264D+01 -0.248412D+01 -0.156899D+01  0.118079D+02  0.799564D+01
      4   0.316211D+01 -0.936274D+01 -0.241789D+01 -0.132593D+02 -0.530259D+01
      5  -0.104863D+02 -0.590332D+01 -0.107276D+02 -0.191701D+02 -0.283008D+01
      6  -0.149250D+01 -0.543839D+01  0.498983D+00 -0.395037D+00 -0.859596D+01
                36            37            38            39            40 
      1  -0.214749D+01 -0.175420D+02 -0.763711D+01  0.420037D+01 -0.120291D+02
      2   0.751780D+01  0.753946D+01  0.330267D+01 -0.941514D+00  0.732995D+01
      3  -0.537030D+01  0.100026D+02  0.433445D+01 -0.325885D+01  0.469915D+01
      4  -0.243654D+01 -0.116229D+02 -0.345278D+00  0.571171D+01 -0.146990D+00
      5  -0.481287D+01  0.102633D+02  0.773284D+01  0.100618D+01  0.916094D+01
      6  -0.284000D+01  0.549461D+01  0.956918D+00 -0.215151D+01  0.186357D+01
                41            42            43            44            45 
      1  -0.577564D+01  0.519683D+01  0.201312D+01  0.154692D+01 -0.122710D+02
      2   0.485412D+01 -0.455218D+01  0.371247D+01  0.191688D+01 -0.114733D+02
      3   0.921518D+00 -0.644652D+00 -0.572559D+01 -0.346380D+01  0.237443D+02
      4  -0.377096D+01 -0.458962D+01  0.512687D+01 -0.370948D+01 -0.380139D+01
      5  -0.326237D+01 -0.427248D+01  0.110976D+02 -0.280014D+01 -0.213657D+02
      6   0.159105D+01  0.576578D+01 -0.255909D+01  0.876025D+01 -0.149915D+01
                46            47            48            49            50 
      1  -0.805804D+00  0.210769D+02 -0.165954D+02  0.243918D+02 -0.368734D+01
      2   0.136003D+01 -0.126663D+02  0.782226D+01 -0.161481D+02 -0.347222D+01
      3  -0.554226D+00 -0.841057D+01  0.877310D+01 -0.824372D+01  0.715956D+01
      4   0.212858D+02 -0.224128D+01  0.240089D+01 -0.660694D+01 -0.246986D+02
      5  -0.185421D+02  0.314768D+01 -0.129146D+02  0.435163D+01 -0.889505D+01
      6  -0.214898D+00 -0.260034D+00  0.193930D+00 -0.146947D+01 -0.224915D+01
                51            52            53            54            55 
      1   0.583920D+01 -0.216973D+02  0.365736D+01 -0.120155D+02  0.167716D+02
      2  -0.306128D+01  0.852614D+01 -0.197665D+01  0.138246D+02 -0.152318D+02
      3  -0.277792D+01  0.131712D+02 -0.168071D+01 -0.180916D+01 -0.153983D+01
      4  -0.694067D+01  0.330807D+01 -0.568721D+01  0.815862D+01  0.857667D+01
      5   0.102155D+02 -0.196435D+02  0.886806D+01  0.277361D+02 -0.237587D+01
      6   0.124135D+01  0.332293D+00 -0.681875D+00  0.147659D+01  0.525812D+01
                56            57            58            59            60 
      1  -0.337013D+01 -0.351913D-01 -0.643276D+01 -0.182230D+02 -0.368172D+01
      2   0.674792D+01 -0.224577D+01  0.123732D+02  0.307543D+02  0.463716D+01
      3  -0.337779D+01  0.228096D+01 -0.594040D+01 -0.125313D+02 -0.955440D+00
      4  -0.546257D+01  0.384356D+01  0.217741D+01  0.120322D+02 -0.398407D+01
      5   0.226750D+01  0.116138D+01 -0.855331D-01 -0.328079D+01  0.188478D+01
      6  -0.436714D+01  0.115115D+02 -0.495101D+01  0.529271D+01  0.165248D+01
                61            62            63            64            65 
      1   0.182812D+01 -0.606564D+00  0.172494D+01  0.381996D+02  0.864189D+01
      2  -0.249258D+01  0.518215D+01 -0.176219D+01 -0.248775D+02 -0.413855D+01
      3   0.664464D+00 -0.457558D+01  0.372487D-01 -0.133220D+02 -0.450334D+01
      4   0.454775D+01 -0.335450D+01  0.101328D+02  0.135074D+02  0.148604D+02
      5   0.219352D+01  0.368452D+01  0.273012D+00  0.276597D+02  0.665685D+01
      6   0.136357D+02 -0.991841D+00 -0.130693D+02  0.509506D+01  0.627395D+01
                66            67            68            69            70 
      1   0.127571D+02  0.532166D+01  0.457129D+00 -0.836438D+00  0.180981D+02
      2  -0.117503D+02 -0.541648D+00  0.574624D+01  0.261973D+00 -0.161979D+02
      3  -0.100687D+01 -0.478001D+01 -0.620336D+01  0.574465D+00 -0.190017D+01
      4   0.655277D+01  0.168435D+02  0.172894D+02  0.111161D+02  0.915212D+01
      5   0.282106D+02  0.816627D+01  0.128730D+02  0.112189D+02  0.283222D+02
      6   0.513882D+01  0.470596D+01  0.896851D+01  0.116147D+02  0.530275D+01
                71            72            73            74            75 
      1   0.301644D+01  0.896892D+00  0.104062D+01 -0.899907D-01  0.804504D-01
      2  -0.326839D+01 -0.148879D+02 -0.400244D+01  0.200875D-01  0.137921D+01
      3   0.251940D+00  0.139910D+02  0.296183D+01  0.699032D-01 -0.145966D+01
      4   0.106513D+02  0.746015D+01  0.544863D+00  0.139638D+01 -0.122305D+01
      5   0.955568D+01  0.347660D+02 -0.224451D+01 -0.326986D+00  0.606225D+01
      6   0.121283D+02  0.900724D+01 -0.118479D+01 -0.748533D+00  0.777007D+00
                76            77            78            79            80 
      1   0.130400D+00 -0.392844D+01 -0.543065D+00  0.295236D+00  0.143907D+01
      2   0.119295D+00  0.135713D+01 -0.147444D+01  0.184772D+01 -0.215105D+01
      3  -0.249695D+00  0.257131D+01  0.201750D+01 -0.214296D+01  0.711982D+00
      4   0.192453D+01 -0.338095D+00 -0.615400D+00 -0.630092D+00 -0.359350D-01
      5  -0.698115D-01 -0.994543D+00 -0.636325D+00  0.447308D+01  0.240514D+00
      6  -0.586972D+00 -0.245353D+00  0.550090D+01  0.751843D-01  0.411595D+01
                81            82            83            84            85 
      1  -0.147795D+02  0.146929D+01  0.224670D+01  0.259828D+01  0.288218D+01
      2  -0.136858D+02 -0.396860D+01 -0.856426D+00  0.135721D+00 -0.165818D+01
      3   0.284654D+02  0.249930D+01 -0.139027D+01 -0.273400D+01 -0.122400D+01
      4   0.666942D+00  0.210470D+01  0.684740D+00  0.131932D+00  0.119181D+01
      5  -0.297752D+01  0.738909D+00  0.227486D+00  0.456338D+01  0.121572D+00
      6  -0.682540D+01  0.872628D-01 -0.417599D+00 -0.429459D+00 -0.197991D+00
                86            87            88            89            90 
      1  -0.460047D+01 -0.143176D+01  0.459697D+01 -0.612954D+00 -0.159297D+02
      2   0.154463D+01 -0.118919D+01 -0.169923D+01 -0.235733D+01 -0.142086D+02
      3   0.305584D+01  0.262096D+01 -0.289774D+01  0.297028D+01  0.301384D+02
      4  -0.429439D+00  0.206993D+01  0.429478D+00  0.316964D+01  0.224462D+01
      5   0.226052D+01  0.193020D+01  0.310544D+01  0.167725D+01  0.164646D+02
      6   0.187664D+01  0.651751D+01  0.468896D-01  0.407405D+01  0.269778D+00
                91            92            93            94            95 
      1   0.357237D+02  0.771031D+01 -0.115787D+02  0.952941D+01  0.449782D+01
      2  -0.204652D+02 -0.390549D+01  0.865560D+01 -0.431060D+01 -0.873568D+00
      3  -0.152584D+02 -0.380482D+01  0.292308D+01 -0.521881D+01 -0.362425D+01
      4   0.105271D+02  0.769241D+01 -0.424061D+01  0.100713D+02  0.596333D+01
      5  -0.232155D+02 -0.575896D+01  0.152569D+02 -0.837393D+01 -0.539692D+01
      6  -0.516981D+01 -0.335511D+01  0.299512D+01 -0.400590D+01 -0.288522D+01
                96            97            98            99           100 
      1  -0.364334D+01 -0.138912D+01 -0.322050D-01  0.228510D+01 -0.182318D+01
      2   0.270163D+01  0.357771D+01  0.876114D+00 -0.408894D+01  0.761506D+01
      3   0.941706D+00 -0.218859D+01 -0.843909D+00  0.180384D+01 -0.579189D+01
      4  -0.424572D+01 -0.950438D+00 -0.111495D+01  0.149161D+01 -0.114310D+02
      5   0.594854D+01  0.752390D+01  0.195336D+01 -0.770476D+01  0.337994D+01
      6   0.331161D+01  0.128780D+01  0.154292D+01 -0.166953D+01 -0.655489D+01
               101           102           103           104           105 
      1   0.716876D+01 -0.209957D+01  0.417370D+01 -0.106582D+02  0.316912D+01
      2  -0.145658D+02  0.396426D+01 -0.949477D+01  0.198264D+02 -0.566924D+01
      3   0.739700D+01 -0.186469D+01  0.532107D+01 -0.916822D+01  0.250012D+01
      4   0.153007D+02 -0.587528D+01  0.135182D+02 -0.124170D+02  0.509496D+01
      5  -0.311115D+01  0.380099D+01 -0.147593D+01  0.279142D+01 -0.171624D+01
      6   0.830453D+01 -0.761405D+01  0.624574D+01 -0.845751D+01  0.764128D+01
               106           107           108           109           110 
      1  -0.320980D+01  0.644237D+01 -0.528151D+01 -0.147553D+01  0.186546D+01
      2   0.454970D+01 -0.927261D+01  0.424142D+01  0.197362D+01 -0.247920D+01
      3  -0.133990D+01  0.283023D+01  0.104009D+01 -0.498093D+00  0.613744D+00
      4  -0.880344D+01  0.782812D+01 -0.648574D+01 -0.135465D+01  0.436763D+01
      5   0.386354D+01 -0.305799D+01  0.335205D+01 -0.127904D+01  0.689815D+00
      6  -0.757562D+01  0.108431D+02 -0.924633D+01  0.112323D+01 -0.351552D+01
               111           112           113           114           115 
      1   0.190693D+01  0.554103D+00 -0.411598D+01 -0.214163D+01  0.112060D+01
      2  -0.160431D+01 -0.100529D+01  0.571063D+01  0.312994D+01 -0.100777D+01
      3  -0.302612D+00  0.451190D+00 -0.159465D+01 -0.988312D+00 -0.112831D+00
      4   0.153027D+01  0.398458D+01 -0.164010D+01 -0.249121D+01  0.558237D+01
      5   0.242350D+01  0.333360D+00 -0.129735D+01 -0.101838D+01  0.244994D+01
      6  -0.497406D+01 -0.280343D+01  0.355587D+01  0.668249D+01 -0.568320D+01
               116           117           118           119           120 
      1  -0.781509D+01 -0.899424D+01  0.515468D+02 -0.106591D+02  0.154562D+02
      2   0.891663D+01  0.156897D+01 -0.282572D+02  0.546187D+01 -0.931839D+01
      3  -0.110154D+01  0.742527D+01 -0.232897D+02  0.519721D+01 -0.613785D+01
      4  -0.348840D+01 -0.435108D+01 -0.105560D+02  0.106008D+02 -0.343461D+01
      5  -0.180879D+01 -0.349568D+01  0.183371D+02 -0.411371D+01  0.154926D+02
      6   0.104310D+02  0.231979D+02 -0.199413D+00  0.612079D+00  0.120183D+00
               121           122           123           124           125 
      1  -0.211127D+02  0.743544D+01 -0.477639D+01  0.243449D+02 -0.348202D+01
      2   0.114202D+02 -0.180395D+01  0.295189D+01 -0.148770D+02  0.226505D+01
      3   0.969250D+01 -0.563149D+01  0.182450D+01 -0.946790D+01  0.121698D+01
      4   0.122114D+02 -0.747570D+01  0.549899D+01 -0.462113D+01  0.752990D+01
      5  -0.677520D+01  0.566213D+01 -0.803198D+01  0.185779D+02 -0.532225D+01
      6   0.137258D+01 -0.145057D+01  0.181385D+01 -0.632545D+00  0.222907D+01
               126           127           128           129           130 
      1   0.112390D+02  0.873431D+01 -0.245309D+01 -0.558386D+01 -0.581829D+01
      2  -0.103857D+02 -0.715699D+01  0.165684D+01  0.463583D+01  0.384676D+01
      3  -0.853281D+00 -0.157732D+01  0.796245D+00  0.948029D+00  0.197152D+01
      4  -0.463708D+01 -0.190589D+01  0.272570D+01  0.292969D-02  0.417755D+01
      5   0.128073D+02 -0.703195D+01  0.387157D+00  0.119668D+02  0.208329D+01
      6  -0.122213D+01  0.666051D-01 -0.172121D+00  0.790954D+00 -0.146871D+01
               131           132           133           134           135 
      1   0.270707D+00 -0.173004D+00 -0.133664D+02 -0.826345D+00  0.304595D+01
      2  -0.179483D+00 -0.125317D+01  0.117057D+02 -0.212854D+00 -0.169897D+02
      3  -0.912235D-01  0.142618D+01  0.166078D+01  0.103920D+01  0.139437D+02
      4   0.119028D+00 -0.448888D+01 -0.652290D+00 -0.777502D+01 -0.266358D+01
      5  -0.408151D+01 -0.552679D+01  0.201634D+02 -0.248411D+01 -0.399782D+02
      6   0.136870D+01  0.383444D+01  0.293284D+00  0.453081D+01 -0.182737D+01
               136           137           138           139           140 
      1   0.210237D+01  0.367306D+01  0.229648D+01  0.124750D+02 -0.945015D+00
      2   0.167123D+01  0.634653D+00 -0.109206D+01 -0.372986D+01  0.149578D+02
      3  -0.377360D+01 -0.430771D+01 -0.120442D+01 -0.874517D+01 -0.140128D+02
      4   0.495910D+01  0.996750D+01  0.563298D+00  0.156673D+02  0.392611D+02
      5   0.220724D+01  0.220448D+00  0.264959D+01  0.358140D+00  0.448899D+01
      6   0.310865D+00 -0.149613D+00  0.713972D+00  0.809912D+00  0.194003D+01
               141           142           143           144           145 
      1  -0.787059D+00  0.424948D+01 -0.803429D+00  0.810347D+00  0.131589D+02
      2   0.136555D+01 -0.191311D+01  0.121259D+01 -0.950207D+00  0.722790D+00
      3  -0.578492D+00 -0.233637D+01 -0.409161D+00  0.139860D+00 -0.138817D+02
      4   0.363079D+01  0.130731D+01  0.419343D+01  0.371783D+01 -0.255687D+02
      5   0.683104D+01  0.511958D+01  0.431229D+01 -0.493101D+00  0.881146D+01
      6   0.467458D+01  0.112289D+01  0.511765D+01  0.152744D+01 -0.889041D+01
               146           147           148           149           150 
      1  -0.215987D+01  0.300559D+01 -0.218786D+01 -0.300911D+01  0.156342D+01
      2  -0.954922D+01 -0.568638D-01 -0.658163D+01  0.145119D+02 -0.467757D+01
      3   0.117091D+02 -0.294873D+01  0.876949D+01 -0.115028D+02  0.311415D+01
      4   0.235078D+02 -0.974004D+01  0.180402D+02 -0.191269D+02  0.706982D+01
      5  -0.562117D+01  0.832073D+01 -0.372534D+01  0.544421D+01 -0.444025D+01
      6   0.705024D+01 -0.884454D+01  0.535586D+01 -0.850437D+01  0.807926D+01
               151           152           153           154           155 
      1   0.433430D+01  0.267198D+01 -0.930628D+00 -0.799014D+01 -0.133843D+02
      2  -0.640907D+00 -0.720301D+01  0.864043D+00  0.970866D+01  0.173508D+02
      3  -0.369339D+01  0.453104D+01  0.665852D-01 -0.171853D+01 -0.396648D+01
      4  -0.118109D+02  0.110707D+02 -0.941721D+01  0.150951D+02  0.770855D+01
      5   0.833255D+01 -0.650389D+01  0.697716D+01 -0.107072D+01 -0.130778D+01
      6  -0.759723D+01  0.101826D+02 -0.757160D+01 -0.680123D+01 -0.486467D+01
               156           157           158           159           160 
      1   0.441702D+01 -0.837298D+01 -0.105158D+02  0.334954D+01  0.438051D+01
      2  -0.321691D+01  0.106302D+02  0.155706D+02 -0.420653D+01 -0.250252D+01
      3  -0.120011D+01 -0.225721D+01 -0.505480D+01  0.856990D+00 -0.187798D+01
      4  -0.463736D+01  0.921217D+01  0.523281D+01 -0.138937D+01 -0.560605D+01
      5   0.156134D+01 -0.479258D+00 -0.208225D+00 -0.251643D+00  0.262789D+01
      6   0.637004D+01 -0.335608D+01 -0.509313D+01  0.585833D+01  0.427567D+01
               161           162           163           164           165 
      1   0.527404D+01 -0.533115D+01 -0.467126D+00 -0.161747D+01 -0.148264D+01
      2  -0.652158D+01  0.313002D+01  0.935748D+00  0.128458D+00  0.106598D+01
      3   0.124754D+01  0.220112D+01 -0.468623D+00  0.148902D+01  0.416655D+00
      4  -0.521987D+00  0.147355D+01 -0.258704D+01  0.551296D+01  0.228943D+01
      5  -0.681976D+00 -0.165064D+01 -0.211275D+01  0.100092D+01  0.488543D+01
      6   0.716665D+01 -0.350430D+01  0.186664D+01 -0.555793D+00 -0.208188D+01
               166           167           168           169           170 
      1  -0.651925D+00 -0.459905D+01 -0.417714D+01 -0.258109D+01 -0.888979D+01
      2  -0.419170D+00  0.547466D+01  0.489311D+01  0.150357D+01  0.997552D+01
      3   0.107110D+01 -0.875611D+00 -0.715967D+00  0.107751D+01 -0.108573D+01
      4   0.424954D+01 -0.292387D+01 -0.248609D+01  0.532380D+01 -0.689769D+01
      5   0.105144D-01 -0.256104D+01 -0.262417D+01  0.594114D+01 -0.606563D+01
      6  -0.615813D+00  0.609432D+01  0.101898D+02 -0.304881D+01  0.145287D+02
               171 
      1  -0.110299D+02
      2  -0.389208D+00
      3   0.114191D+02
      4  -0.698478D+01
      5  -0.156516D+02
      6   0.278888D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Sep 27 14:51:03 2021, MaxMem=  5637144576 cpu:           19943.6 elap:            2493.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.99697 -18.94125 -14.16344 -10.19845 -10.10636
 Alpha  occ. eigenvalues --  -10.07419 -10.05133 -10.04416  -1.22521  -1.13207
 Alpha  occ. eigenvalues --   -1.02330  -0.92355  -0.82878  -0.80441  -0.73882
 Alpha  occ. eigenvalues --   -0.70033  -0.62029  -0.61406  -0.59975  -0.59443
 Alpha  occ. eigenvalues --   -0.57392  -0.53318  -0.52887  -0.50245  -0.49508
 Alpha  occ. eigenvalues --   -0.48419  -0.44973  -0.44368  -0.44059  -0.42858
 Alpha  occ. eigenvalues --   -0.40938  -0.35140
 Alpha virt. eigenvalues --    0.02766   0.03970   0.04046   0.04594   0.05832
 Alpha virt. eigenvalues --    0.06530   0.06581   0.06696   0.07677   0.07848
 Alpha virt. eigenvalues --    0.09016   0.09437   0.10554   0.12055   0.12349
 Alpha virt. eigenvalues --    0.13049   0.14062   0.14500   0.14753   0.15091
 Alpha virt. eigenvalues --    0.15285   0.16215   0.17492   0.17791   0.17864
 Alpha virt. eigenvalues --    0.18623   0.19417   0.19599   0.20169   0.20643
 Alpha virt. eigenvalues --    0.20801   0.21954   0.22496   0.23210   0.23993
 Alpha virt. eigenvalues --    0.25197   0.25220   0.26529   0.27500   0.27925
 Alpha virt. eigenvalues --    0.28509   0.29968   0.30344   0.30624   0.30751
 Alpha virt. eigenvalues --    0.31287   0.32210   0.32728   0.33841   0.34142
 Alpha virt. eigenvalues --    0.35061   0.36086   0.37295   0.37871   0.39061
 Alpha virt. eigenvalues --    0.40108   0.40796   0.41550   0.42505   0.43152
 Alpha virt. eigenvalues --    0.43268   0.43990   0.44304   0.45056   0.45951
 Alpha virt. eigenvalues --    0.46407   0.46816   0.47151   0.48191   0.48448
 Alpha virt. eigenvalues --    0.49312   0.51192   0.51694   0.52292   0.53550
 Alpha virt. eigenvalues --    0.53807   0.54717   0.54884   0.55395   0.56143
 Alpha virt. eigenvalues --    0.58009   0.58634   0.59209   0.59537   0.60409
 Alpha virt. eigenvalues --    0.60795   0.61137   0.62595   0.62765   0.63806
 Alpha virt. eigenvalues --    0.65060   0.65900   0.67959   0.68609   0.68951
 Alpha virt. eigenvalues --    0.69458   0.70611   0.71607   0.72010   0.73949
 Alpha virt. eigenvalues --    0.74297   0.75563   0.76380   0.76876   0.77212
 Alpha virt. eigenvalues --    0.77872   0.80016   0.81007   0.82399   0.83042
 Alpha virt. eigenvalues --    0.83278   0.84371   0.85384   0.86066   0.87995
 Alpha virt. eigenvalues --    0.88962   0.89151   0.90636   0.91938   0.92575
 Alpha virt. eigenvalues --    0.93728   0.94431   0.95266   0.96546   0.97605
 Alpha virt. eigenvalues --    1.02025   1.02481   1.04267   1.05860   1.06789
 Alpha virt. eigenvalues --    1.07393   1.09122   1.09909   1.11573   1.13049
 Alpha virt. eigenvalues --    1.14447   1.15924   1.17763   1.20021   1.21542
 Alpha virt. eigenvalues --    1.22873   1.23515   1.23790   1.26123   1.26640
 Alpha virt. eigenvalues --    1.30359   1.32203   1.33371   1.34402   1.36575
 Alpha virt. eigenvalues --    1.39642   1.41901   1.44152   1.45509   1.46908
 Alpha virt. eigenvalues --    1.51574   1.53248   1.56414   1.57406   1.60298
 Alpha virt. eigenvalues --    1.62534   1.64229   1.65250   1.67171   1.69035
 Alpha virt. eigenvalues --    1.70350   1.72525   1.74225   1.75688   1.77593
 Alpha virt. eigenvalues --    1.78769   1.79060   1.79835   1.83354   1.84721
 Alpha virt. eigenvalues --    1.86615   1.88284   1.90060   1.90587   1.92006
 Alpha virt. eigenvalues --    1.92535   1.95952   1.98134   1.98969   2.00012
 Alpha virt. eigenvalues --    2.00853   2.02108   2.04180   2.07634   2.08113
 Alpha virt. eigenvalues --    2.10368   2.11764   2.13278   2.15079   2.16395
 Alpha virt. eigenvalues --    2.18274   2.19801   2.21845   2.23589   2.24290
 Alpha virt. eigenvalues --    2.26802   2.27334   2.29089   2.31447   2.32049
 Alpha virt. eigenvalues --    2.34547   2.36689   2.37488   2.38805   2.40586
 Alpha virt. eigenvalues --    2.43942   2.46969   2.50079   2.52299   2.53319
 Alpha virt. eigenvalues --    2.57065   2.57879   2.60531   2.62024   2.64753
 Alpha virt. eigenvalues --    2.66337   2.69005   2.70465   2.71986   2.74921
 Alpha virt. eigenvalues --    2.79642   2.80283   2.80463   2.85566   2.86528
 Alpha virt. eigenvalues --    2.93317   2.98621   3.00099   3.06283   3.12180
 Alpha virt. eigenvalues --    3.17625   3.22368   3.28271   3.38479   3.44591
 Alpha virt. eigenvalues --    3.45535   3.48066   3.48937   3.51395   3.52843
 Alpha virt. eigenvalues --    3.58467   3.62573   3.73257   3.85451   3.94717
 Alpha virt. eigenvalues --    4.14479
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.837857  -0.028569  -0.310865  -0.036351   0.052060  -0.224040
     2  C   -0.028569   9.067416  -2.017365   0.226961  -0.003216  -0.083802
     3  C   -0.310865  -2.017365  11.232670  -2.394939  -0.109277   0.179242
     4  C   -0.036351   0.226961  -2.394939   7.891544  -0.051376  -0.170543
     5  O    0.052060  -0.003216  -0.109277  -0.051376   8.222220  -0.004909
     6  C   -0.224040  -0.083802   0.179242  -0.170543  -0.004909   4.842719
     7  N    0.053999  -0.028227  -0.549127   0.216682   0.020540  -0.074241
     8  O    0.015222  -0.023211   0.248134  -0.084727  -0.017696   0.007533
     9  H    0.066037   0.234125  -1.366884   0.070228   0.017563  -0.028399
    10  H   -0.009235  -1.455285   0.600259  -0.092624   0.002447  -0.042584
    11  H   -0.011075  -0.012264   0.152588  -0.186022   0.305122   0.001879
    12  H    0.000590  -0.046560   0.229817  -0.100930  -0.002203   0.012709
    13  H   -0.002561   0.104119  -0.261976  -0.025623   0.007118  -0.003680
    14  H    0.044894   0.079618  -0.016218  -0.011504  -0.001988   0.194270
    15  H   -0.084667  -0.102804   0.095807  -0.038068   0.001592   0.324446
    16  H   -0.047247   0.286214  -0.139479   0.036342   0.000341   0.139645
    17  H    0.103089   0.035167   0.059515  -0.028352   0.013321   0.046276
    18  H    0.297910   0.165690  -0.064405   0.021985   0.006458  -0.053833
    19  H    0.236802   0.089506  -0.203700   0.097587  -0.007117  -0.117919
               7          8          9         10         11         12
     1  C    0.053999   0.015222   0.066037  -0.009235  -0.011075   0.000590
     2  C   -0.028227  -0.023211   0.234125  -1.455285  -0.012264  -0.046560
     3  C   -0.549127   0.248134  -1.366884   0.600259   0.152588   0.229817
     4  C    0.216682  -0.084727   0.070228  -0.092624  -0.186022  -0.100930
     5  O    0.020540  -0.017696   0.017563   0.002447   0.305122  -0.002203
     6  C   -0.074241   0.007533  -0.028399  -0.042584   0.001879   0.012709
     7  N    6.773992  -0.018476   0.183060  -0.011420  -0.013599   0.174116
     8  O   -0.018476   8.387726  -0.002572  -0.002343  -0.020640   0.002911
     9  H    0.183060  -0.002572   2.309001   0.050335   0.002905  -0.091452
    10  H   -0.011420  -0.002343   0.050335   2.680316   0.001340   0.011315
    11  H   -0.013599  -0.020640   0.002905   0.001340   0.607835   0.000002
    12  H    0.174116   0.002911  -0.091452   0.011315   0.000002   0.965450
    13  H    0.372038  -0.003492   0.060850  -0.029804  -0.006242  -0.128829
    14  H    0.037511   0.000858   0.008906  -0.126851  -0.000412   0.001261
    15  H   -0.009260   0.001415  -0.031251   0.101116   0.000016   0.000083
    16  H   -0.040438  -0.001880  -0.004723  -0.057535   0.001036   0.003795
    17  H   -0.009916  -0.003076   0.008274  -0.044598  -0.000128   0.000133
    18  H    0.014183   0.029659  -0.000075  -0.088857  -0.004174  -0.002297
    19  H    0.008694  -0.011232   0.022632   0.090212   0.000671   0.001053
              13         14         15         16         17         18
     1  C   -0.002561   0.044894  -0.084667  -0.047247   0.103089   0.297910
     2  C    0.104119   0.079618  -0.102804   0.286214   0.035167   0.165690
     3  C   -0.261976  -0.016218   0.095807  -0.139479   0.059515  -0.064405
     4  C   -0.025623  -0.011504  -0.038068   0.036342  -0.028352   0.021985
     5  O    0.007118  -0.001988   0.001592   0.000341   0.013321   0.006458
     6  C   -0.003680   0.194270   0.324446   0.139645   0.046276  -0.053833
     7  N    0.372038   0.037511  -0.009260  -0.040438  -0.009916   0.014183
     8  O   -0.003492   0.000858   0.001415  -0.001880  -0.003076   0.029659
     9  H    0.060850   0.008906  -0.031251  -0.004723   0.008274  -0.000075
    10  H   -0.029804  -0.126851   0.101116  -0.057535  -0.044598  -0.088857
    11  H   -0.006242  -0.000412   0.000016   0.001036  -0.000128  -0.004174
    12  H   -0.128829   0.001261   0.000083   0.003795   0.000133  -0.002297
    13  H    0.898480   0.000805  -0.000591  -0.007686  -0.000803   0.005033
    14  H    0.000805   1.715678  -0.336406  -0.405510  -0.000826   0.016088
    15  H   -0.000591  -0.336406   1.552293  -0.336782  -0.027478  -0.000481
    16  H   -0.007686  -0.405510  -0.336782   1.739810   0.018782  -0.013289
    17  H   -0.000803  -0.000826  -0.027478   0.018782   1.728586  -0.381277
    18  H    0.005033   0.016088  -0.000481  -0.013289  -0.381277   1.514324
    19  H   -0.002498  -0.032125   0.000923   0.005086  -0.322026  -0.289169
              19
     1  C    0.236802
     2  C    0.089506
     3  C   -0.203700
     4  C    0.097587
     5  O   -0.007117
     6  C   -0.117919
     7  N    0.008694
     8  O   -0.011232
     9  H    0.022632
    10  H    0.090212
    11  H    0.000671
    12  H    0.001053
    13  H   -0.002498
    14  H   -0.032125
    15  H    0.000923
    16  H    0.005086
    17  H   -0.322026
    18  H   -0.289169
    19  H    1.555407
 Mulliken charges:
               1
     1  C    1.046151
     2  C   -0.487513
     3  C    0.636203
     4  C    0.659729
     5  O   -0.451001
     6  C    1.055234
     7  N   -0.100110
     8  O   -0.504112
     9  H   -0.508558
    10  H   -0.576205
    11  H    0.181162
    12  H   -0.030964
    13  H    0.025341
    14  H   -0.168048
    15  H   -0.109903
    16  H   -0.176482
    17  H   -0.194663
    18  H   -0.173474
    19  H   -0.122788
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.555227
     2  C   -1.063717
     3  C    0.127644
     4  C    0.659729
     5  O   -0.269839
     6  C    0.600801
     7  N   -0.105733
     8  O   -0.504112
 Electronic spatial extent (au):  <R**2>=           1056.7816
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0629    Y=              0.3545    Z=              1.5881  Tot=              1.6284
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -50.0599   YY=            -50.0538   ZZ=            -50.6810
   XY=             -4.1578   XZ=             -5.0077   YZ=             -2.0474
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.2050   YY=              0.2111   ZZ=             -0.4161
   XY=             -4.1578   XZ=             -5.0077   YZ=             -2.0474
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -22.0877  YYY=              3.7020  ZZZ=              2.8497  XYY=            -12.9585
  XXY=             -1.1271  XXZ=             18.7555  XZZ=             -1.9002  YZZ=              3.6083
  YYZ=              2.9702  XYZ=              6.5404
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -762.5717 YYYY=           -414.7220 ZZZZ=           -181.3989 XXXY=              0.0153
 XXXZ=            -45.0089 YYYX=            -19.2327 YYYZ=             -0.5986 ZZZX=            -12.8994
 ZZZY=             -0.1707 XXYY=           -201.4482 XXZZ=           -158.6819 YYZZ=            -93.4411
 XXYZ=            -16.9677 YYXZ=              0.6065 ZZXY=             -1.3881
 N-N= 4.073201849877D+02 E-N=-1.752918121456D+03  KE= 3.991165721244D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Sep 27 14:51:04 2021, MaxMem=  5637144576 cpu:               2.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-3.68311807D-02 1.77371470D-01 6.26201715D-01
 Polarizability= 8.22267878D+01 2.49082136D+00 7.41808333D+01
                 3.35194953D-01 1.07135497D+00 6.88385936D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.1784   -0.1783        1.5085    1.5083
 2      0.1784    0.1783       -0.6561   -0.6558       -4.2044   -4.2053
 3     -1.5085   -1.5083        7.0963    7.0960        0.6560    0.6558
 4      0.6561    0.6558        0.0000    0.0000       -1.5089   -1.5083
 5     -2.8920   -2.8906        1.5089    1.5083       -0.1788   -0.1783
 6     -0.6560   -0.6558        0.1788    0.1783        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.5349    0.5349        4.5248    4.5248
 2      1.9673    1.9673       -0.0000    0.0000        4.5248    4.5248
 3      1.9673    1.9673        0.5349    0.5349        0.0000    0.0000
 4      0.5349    0.5349       -1.9673   -1.9673      -12.6160  -12.6160
 5     -4.5248   -4.5248       21.2879   21.2879        1.9673    1.9673
 6     -8.6719   -8.6719        4.5248    4.5248       -0.5349   -0.5349
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0009    0.0000        0.7052    0.7132       -6.0484   -6.0330
 2     -0.6764   -0.7132        2.6661    2.6231       16.8379   16.8213
 3      6.0155    6.0330      -28.3928  -28.3839       -2.6594   -2.6231
 4     -2.6527   -2.6231       -0.0175    0.0000        6.0185    6.0330
 5     11.5677   11.5626       -6.0210   -6.0330        0.7175    0.7132
 6      2.6352    2.6231       -0.7138   -0.7132       -0.0029    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0129    0.0000        9.1483    9.1556        2.4264    2.4314
 2     -9.1286   -9.1556      -17.0412  -17.1011        5.3885    5.3904
 3     -2.4441   -2.4314        7.3125    7.2734       17.1623   17.1011
 4     17.0868   17.1011        0.0211    0.0000       -2.4493   -2.4314
 5    -12.7175  -12.6638        2.4501    2.4314        9.1547    9.1556
 6    -17.0918  -17.1011       -9.1660   -9.1556        0.0172    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     15.7197   15.7160        9.7480    9.7135        2.0099    1.9793
 2     43.5772   43.5811       20.2618   20.2671        1.9822    1.9793
 3     43.5708   43.5811        9.7412    9.7135        2.2846    2.2728
 4    -10.5606  -10.5535      -27.8591  -27.8650        8.9551    8.9377
 5      0.2959    0.2935       13.8785   13.8292       27.8924   27.8650
 6    -22.7832  -22.7669       -0.2395   -0.2935       10.5449   10.5535
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.6218   -5.0904   -0.0006   -0.0004   -0.0002    0.8754
 Low frequencies ---   50.1305   72.6669  167.4949
 Diagonal vibrational polarizability:
       16.2729913      20.1562444      20.7277964
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     50.1283                72.6656               167.4948
 Red. masses --      8.0815                 2.8232                 3.9152
 Frc consts  --      0.0120                 0.0088                 0.0647
 IR Inten    --      1.0562                 0.1631                 0.0120
 RamAct Fr= 1--      1.2375                 0.1206                 0.4375
  Dep-P Fr= 1--      0.7329                 0.7499                 0.5802
  Dep-U Fr= 1--      0.8459                 0.8571                 0.7343
 Alpha2 Fr= 1--      0.0004                 0.0000                 0.0014
 Beta2  Fr= 1--      0.1745                 0.0172                 0.0535
 AlphaG Fr= 1--      0.0009                -0.0000                -0.0018
 Gamma2 Fr= 1--      0.0613                 0.0092                -0.1146
 Delta2 Fr= 1--      0.0551                 0.0206                -0.0216
 Raman1 Fr= 1--       4.950                  0.482                  1.750
 ROA1   Fr= 1--       7.643                  1.541                -11.691
 CID1   Fr= 1--       1.544                  3.195                 -6.681
 Raman2 Fr= 1--       2.093                  0.207                  0.643
 ROA2   Fr= 1--       1.030                  0.056                 -2.578
 CID2   Fr= 1--       0.492                  0.272                 -4.012
 Raman3 Fr= 1--       4.187                  0.414                  1.285
 ROA3   Fr= 1--       7.643                  1.541                -11.691
 CID3   Fr= 1--       1.826                  3.727                 -9.098
 RC180  Fr= 1--       0.692                  0.714                  0.469
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.00   0.14     0.07  -0.02  -0.21     0.26  -0.07   0.05
     2   6     0.01   0.02   0.06    -0.03  -0.05  -0.01     0.09  -0.06   0.01
     3   6     0.02  -0.09  -0.06    -0.01  -0.05  -0.04     0.01  -0.13   0.06
     4   6    -0.02  -0.00  -0.02    -0.02   0.00   0.03    -0.07  -0.00   0.02
     5   8     0.21  -0.33   0.06     0.02   0.11   0.04    -0.20   0.12  -0.03
     6   6     0.01   0.05   0.10    -0.01   0.06   0.22     0.00   0.09  -0.11
     7   7    -0.04  -0.04  -0.23     0.03  -0.03  -0.13     0.02  -0.13   0.07
     8   8    -0.25   0.40  -0.05    -0.06  -0.04   0.09    -0.09   0.12  -0.04
     9   1     0.04  -0.21  -0.05    -0.02  -0.12  -0.04    -0.01  -0.12   0.06
    10   1    -0.06   0.08   0.04    -0.15  -0.19  -0.00     0.15  -0.05   0.02
    11   1     0.13  -0.16   0.08     0.01   0.14   0.09    -0.28   0.29  -0.11
    12   1    -0.05  -0.14  -0.31     0.02  -0.06  -0.14     0.01  -0.13   0.08
    13   1    -0.05   0.07  -0.25     0.06   0.04  -0.13     0.02  -0.14   0.07
    14   1    -0.01   0.10   0.16    -0.05  -0.03   0.20     0.11   0.13  -0.23
    15   1     0.07   0.01   0.12     0.09   0.27   0.19    -0.11   0.15  -0.14
    16   1    -0.03   0.06   0.05    -0.05   0.03   0.42    -0.08   0.08  -0.07
    17   1     0.03   0.05   0.26     0.00  -0.06  -0.13     0.28   0.03   0.13
    18   1     0.05   0.01   0.08     0.02  -0.11  -0.43     0.28  -0.15  -0.01
    19   1     0.19  -0.06   0.17     0.26   0.12  -0.22     0.37  -0.10   0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --    213.0124               224.7072               260.2661
 Red. masses --      1.0752                 1.2478                 1.5027
 Frc consts  --      0.0287                 0.0371                 0.0600
 IR Inten    --      0.2332                 0.4621                19.4675
 RamAct Fr= 1--      0.1533                 0.0933                 0.2571
  Dep-P Fr= 1--      0.7492                 0.7500                 0.7198
  Dep-U Fr= 1--      0.8566                 0.8571                 0.8371
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0219                 0.0133                 0.0359
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0001
 Gamma2 Fr= 1--     -0.0224                 0.0658                 0.0580
 Delta2 Fr= 1--      0.0062                 0.0394                -0.0710
 Raman1 Fr= 1--       0.613                  0.373                  1.028
 ROA1   Fr= 1--      -1.946                  7.575                  3.295
 CID1   Fr= 1--      -3.174                 20.288                  3.204
 Raman2 Fr= 1--       0.263                  0.160                  0.430
 ROA2   Fr= 1--      -0.586                  1.263                  1.960
 CID2   Fr= 1--      -2.232                  7.890                  4.554
 Raman3 Fr= 1--       0.525                  0.320                  0.861
 ROA3   Fr= 1--      -1.946                  7.575                  3.295
 CID3   Fr= 1--      -3.705                 23.669                  3.828
 RC180  Fr= 1--       0.713                  0.714                  0.674
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.04     0.02  -0.01   0.02    -0.00   0.02   0.01
     2   6    -0.01   0.01   0.00    -0.02   0.00  -0.04    -0.03   0.02  -0.01
     3   6    -0.00   0.01   0.01    -0.02   0.02  -0.05    -0.02   0.01  -0.01
     4   6     0.00   0.00   0.00    -0.00   0.01  -0.03    -0.03   0.00   0.02
     5   8    -0.01  -0.03   0.00     0.06   0.03  -0.01    -0.07  -0.06   0.01
     6   6    -0.01  -0.00  -0.03    -0.01  -0.01  -0.01    -0.03   0.04   0.01
     7   7     0.02   0.02  -0.01    -0.01  -0.01   0.07     0.14   0.01  -0.06
     8   8     0.02  -0.01  -0.00    -0.03  -0.02   0.01     0.01  -0.02  -0.00
     9   1    -0.01  -0.00   0.01    -0.02   0.09  -0.06    -0.07  -0.04  -0.02
    10   1     0.01   0.02   0.01    -0.06   0.03  -0.06    -0.04   0.02  -0.01
    11   1     0.00  -0.05  -0.01     0.07   0.01   0.04    -0.04  -0.12  -0.04
    12   1     0.00   0.02   0.01    -0.06   0.04   0.17    -0.28  -0.02   0.39
    13   1     0.07   0.03  -0.00     0.05  -0.11   0.10     0.81   0.02   0.12
    14   1     0.04  -0.35  -0.38    -0.05   0.17   0.20    -0.04   0.10   0.08
    15   1    -0.25   0.41  -0.15     0.14  -0.25   0.07     0.03  -0.03   0.03
    16   1     0.17  -0.07   0.39    -0.09   0.03  -0.24    -0.06   0.05  -0.07
    17   1    -0.19  -0.01   0.30    -0.23   0.00   0.44     0.03   0.04  -0.01
    18   1    -0.14   0.07  -0.22    -0.16   0.04  -0.37     0.02  -0.00   0.05
    19   1     0.28  -0.04   0.07     0.51  -0.09   0.08    -0.03   0.00   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    267.1170               298.7253               350.5555
 Red. masses --      1.9693                 2.1632                 2.5541
 Frc consts  --      0.0828                 0.1137                 0.1849
 IR Inten    --      5.2500                13.3919                 5.9262
 RamAct Fr= 1--      0.3257                 0.2843                 1.0077
  Dep-P Fr= 1--      0.4472                 0.5342                 0.1317
  Dep-U Fr= 1--      0.6180                 0.6964                 0.2327
 Alpha2 Fr= 1--      0.0020                 0.0012                 0.0163
 Beta2  Fr= 1--      0.0335                 0.0330                 0.0391
 AlphaG Fr= 1--      0.0067                -0.0067                 0.0071
 Gamma2 Fr= 1--     -0.0262                 0.3564                -0.1530
 Delta2 Fr= 1--     -0.0495                 0.1596                 0.0641
 Raman1 Fr= 1--       1.303                  1.137                  4.031
 ROA1   Fr= 1--      -4.097                 39.322                -12.633
 CID1   Fr= 1--      -3.145                 34.583                 -3.134
 Raman2 Fr= 1--       0.403                  0.396                  0.469
 ROA2   Fr= 1--      -0.233                  7.278                 -4.184
 CID2   Fr= 1--      -0.578                 18.382                 -8.922
 Raman3 Fr= 1--       0.805                  0.792                  0.938
 ROA3   Fr= 1--      -4.097                 39.322                -12.633
 CID3   Fr= 1--      -5.089                 49.661                -13.470
 RC180  Fr= 1--       0.236                  0.393                 -0.535
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02   0.07     0.00  -0.06   0.03    -0.13  -0.05  -0.02
     2   6    -0.02  -0.00  -0.04    -0.07  -0.05  -0.00     0.00  -0.07   0.08
     3   6    -0.00  -0.02  -0.09    -0.02   0.01  -0.01     0.06  -0.08   0.06
     4   6     0.01  -0.01  -0.08    -0.02   0.03  -0.03     0.10  -0.01   0.02
     5   8     0.13   0.08  -0.05     0.05  -0.03  -0.01     0.07   0.05   0.01
     6   6    -0.02   0.04   0.05    -0.16   0.11  -0.02    -0.12   0.12  -0.04
     7   7    -0.03  -0.06   0.08     0.19  -0.00   0.05    -0.07  -0.07  -0.04
     8   8    -0.08  -0.02  -0.00    -0.01  -0.04  -0.00     0.13   0.07  -0.04
     9   1     0.03   0.07  -0.10     0.00   0.03  -0.01     0.12  -0.14   0.07
    10   1    -0.09   0.04  -0.06    -0.09  -0.04  -0.01     0.04  -0.11   0.09
    11   1     0.13   0.11   0.07     0.08  -0.11   0.04     0.02   0.17   0.02
    12   1    -0.25  -0.04   0.35     0.64   0.22  -0.26    -0.34  -0.24   0.11
    13   1     0.21  -0.25   0.17    -0.24   0.05  -0.08     0.15  -0.06   0.02
    14   1    -0.02  -0.14  -0.09    -0.06   0.24  -0.04     0.06   0.35  -0.11
    15   1    -0.05   0.31  -0.01    -0.16   0.15  -0.03    -0.21   0.10  -0.06
    16   1     0.03  -0.00   0.32    -0.34   0.12  -0.03    -0.36   0.14  -0.13
    17   1     0.17   0.07  -0.11     0.06   0.01   0.02    -0.26  -0.22   0.02
    18   1     0.12  -0.04   0.38     0.04  -0.10   0.10    -0.23   0.06  -0.16
    19   1    -0.29  -0.12   0.07    -0.04  -0.09   0.04    -0.06   0.03  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    386.5719               438.6640               532.8875
 Red. masses --      2.7224                 2.8335                 3.6805
 Frc consts  --      0.2397                 0.3212                 0.6158
 IR Inten    --      5.1256                 2.1896                 9.8305
 RamAct Fr= 1--      1.3198                 0.8560                 4.8235
  Dep-P Fr= 1--      0.5972                 0.3822                 0.1100
  Dep-U Fr= 1--      0.7478                 0.5530                 0.1981
 Alpha2 Fr= 1--      0.0037                 0.0067                 0.0824
 Beta2  Fr= 1--      0.1645                 0.0789                 0.1593
 AlphaG Fr= 1--     -0.0031                 0.0045                 0.0040
 Gamma2 Fr= 1--     -0.2570                -0.2446                 0.2488
 Delta2 Fr= 1--      0.1107                 0.0044                 0.0852
 Raman1 Fr= 1--       5.279                  3.424                 19.294
 ROA1   Fr= 1--     -21.132                -23.346                 26.609
 CID1   Fr= 1--      -4.003                 -6.819                  1.379
 Raman2 Fr= 1--       1.974                  0.947                  1.911
 ROA2   Fr= 1--      -7.054                 -5.907                  5.289
 CID2   Fr= 1--      -3.574                 -6.239                  2.767
 Raman3 Fr= 1--       3.948                  1.894                  3.823
 ROA3   Fr= 1--     -21.132                -23.346                 26.609
 CID3   Fr= 1--      -5.353                -12.329                  6.961
 RC180  Fr= 1--       0.496                  0.106                 -0.604
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.17  -0.07  -0.00     0.01   0.18  -0.04    -0.00  -0.18   0.00
     2   6    -0.13  -0.05   0.06    -0.01   0.08   0.23     0.12  -0.12   0.09
     3   6    -0.05   0.06   0.02     0.04  -0.05   0.06     0.06   0.10   0.12
     4   6     0.02   0.08  -0.00    -0.03  -0.06  -0.08    -0.04   0.03  -0.09
     5   8     0.07   0.02   0.01     0.07   0.02  -0.07     0.01  -0.01  -0.11
     6   6    -0.15  -0.14  -0.01    -0.05  -0.06  -0.03     0.07   0.05  -0.01
     7   7    -0.08   0.10  -0.04     0.07  -0.06   0.02    -0.03   0.22  -0.03
     8   8     0.09   0.03  -0.03    -0.13  -0.06  -0.01    -0.17  -0.08   0.05
     9   1     0.00   0.05   0.03     0.23  -0.11   0.10     0.22   0.13   0.14
    10   1    -0.14  -0.09   0.07     0.01   0.09   0.22     0.23  -0.23   0.12
    11   1     0.12  -0.09   0.07     0.04   0.11   0.04     0.12  -0.25  -0.06
    12   1    -0.25  -0.01   0.05     0.08  -0.01   0.04    -0.25  -0.01   0.01
    13   1     0.08   0.13   0.00     0.13  -0.03   0.03     0.12   0.35   0.00
    14   1    -0.14  -0.19  -0.08     0.03  -0.08  -0.17     0.24   0.24  -0.09
    15   1    -0.29  -0.21  -0.02    -0.33  -0.25  -0.05     0.01   0.11  -0.04
    16   1    -0.03  -0.14  -0.08     0.13  -0.04  -0.22    -0.15   0.06  -0.03
    17   1     0.37   0.18  -0.07     0.00   0.02  -0.19    -0.07  -0.29   0.01
    18   1     0.33  -0.39   0.02    -0.00   0.05  -0.24    -0.06  -0.07  -0.01
    19   1     0.21   0.01  -0.01     0.06   0.53  -0.11    -0.02  -0.18   0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    594.8940               634.9587               773.5657
 Red. masses --      1.1944                 3.2124                 4.1443
 Frc consts  --      0.2490                 0.7631                 1.4611
 IR Inten    --     84.2038                47.7331                18.7576
 RamAct Fr= 1--      0.9364                 3.9138                 1.4190
  Dep-P Fr= 1--      0.6204                 0.0486                 0.2600
  Dep-U Fr= 1--      0.7658                 0.0927                 0.4127
 Alpha2 Fr= 1--      0.0022                 0.0776                 0.0163
 Beta2  Fr= 1--      0.1195                 0.0604                 0.0976
 AlphaG Fr= 1--     -0.0127                 0.0142                 0.0037
 Gamma2 Fr= 1--     -0.0496                -0.0729                 0.0416
 Delta2 Fr= 1--      0.0271                -0.0784                -0.3987
 Raman1 Fr= 1--       3.746                 15.655                  5.676
 ROA1   Fr= 1--      -3.899                 -9.510                 -8.764
 CID1   Fr= 1--      -1.041                 -0.607                 -1.544
 Raman2 Fr= 1--       1.434                  0.725                  1.171
 ROA2   Fr= 1--      -1.408                 -1.124                  4.189
 CID2   Fr= 1--      -0.982                 -1.549                  3.576
 Raman3 Fr= 1--       2.868                  1.451                  2.343
 ROA3   Fr= 1--      -3.899                 -9.510                 -8.764
 CID3   Fr= 1--      -1.359                 -6.556                 -3.741
 RC180  Fr= 1--       0.532                 -0.815                 -0.175
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01  -0.00    -0.00   0.02  -0.00     0.01  -0.06   0.02
     2   6    -0.01  -0.00  -0.02    -0.03   0.00   0.01     0.04  -0.03   0.13
     3   6     0.01   0.03   0.00     0.16   0.02  -0.14    -0.05   0.00  -0.14
     4   6     0.03  -0.06   0.00     0.19   0.07   0.01    -0.18   0.38  -0.06
     5   8     0.02  -0.06  -0.01    -0.11  -0.05  -0.10     0.02  -0.10   0.07
     6   6    -0.02  -0.01   0.00    -0.08  -0.02   0.01     0.11   0.04  -0.00
     7   7     0.01   0.06   0.00    -0.01  -0.02   0.01    -0.02  -0.07  -0.01
     8   8    -0.01  -0.01   0.02    -0.02   0.04   0.23     0.07  -0.09   0.01
     9   1     0.00   0.06   0.00     0.20   0.02  -0.13     0.01  -0.12  -0.12
    10   1    -0.02  -0.02  -0.01    -0.16   0.05  -0.01    -0.05   0.09   0.10
    11   1    -0.42   0.87  -0.19    -0.05  -0.29  -0.67    -0.20   0.36  -0.05
    12   1     0.00   0.05   0.01    -0.13  -0.09   0.06    -0.09   0.00   0.13
    13   1     0.03   0.07   0.01    -0.19  -0.28  -0.00    -0.18  -0.41  -0.01
    14   1    -0.02  -0.00   0.01    -0.02  -0.00  -0.06     0.23   0.08  -0.13
    15   1    -0.01   0.00   0.00    -0.19  -0.04  -0.01    -0.08  -0.02  -0.03
    16   1    -0.03  -0.01   0.00    -0.09  -0.02  -0.03     0.11   0.05  -0.09
    17   1     0.02   0.03   0.02     0.03   0.05  -0.03    -0.02  -0.28  -0.15
    18   1     0.02  -0.03   0.02     0.02  -0.04  -0.01    -0.04  -0.05  -0.11
    19   1     0.02  -0.05   0.01     0.01   0.06  -0.01    -0.04   0.22  -0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    811.6935               847.8006               901.8288
 Red. masses --      2.6940                 1.8070                 2.3520
 Frc consts  --      1.0458                 0.7652                 1.1270
 IR Inten    --     76.6544                55.6570                49.2094
 RamAct Fr= 1--      4.4558                 5.6889                 1.5914
  Dep-P Fr= 1--      0.0214                 0.1004                 0.6815
  Dep-U Fr= 1--      0.0420                 0.1825                 0.8106
 Alpha2 Fr= 1--      0.0942                 0.0995                 0.0019
 Beta2  Fr= 1--      0.0312                 0.1730                 0.2150
 AlphaG Fr= 1--      0.0322                -0.0129                 0.0124
 Gamma2 Fr= 1--      0.2093                 0.4949                -0.3457
 Delta2 Fr= 1--     -0.0666                 0.6888                -0.7544
 Raman1 Fr= 1--      17.823                 22.756                  6.366
 ROA1   Fr= 1--      17.963                 69.553                -57.328
 CID1   Fr= 1--       1.008                  3.057                 -9.006
 Raman2 Fr= 1--       0.374                  2.076                  2.580
 ROA2   Fr= 1--       5.557                  6.367                 -2.262
 CID2   Fr= 1--      14.847                  3.067                 -0.877
 Raman3 Fr= 1--       0.749                  4.153                  5.160
 ROA3   Fr= 1--      17.963                 69.553                -57.328
 CID3   Fr= 1--      23.998                 16.749                -11.110
 RC180  Fr= 1--      -0.916                 -0.635                  0.621
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03   0.01    -0.01  -0.11   0.02    -0.05  -0.12   0.00
     2   6     0.01   0.00   0.04    -0.01   0.03   0.09    -0.12   0.08   0.03
     3   6     0.12   0.02  -0.16    -0.06   0.06  -0.11    -0.11  -0.07   0.06
     4   6    -0.02  -0.15  -0.00     0.06  -0.10   0.03     0.03  -0.04   0.05
     5   8    -0.07   0.02   0.16    -0.02   0.02   0.01     0.03   0.01  -0.10
     6   6    -0.01  -0.01   0.02     0.07   0.03   0.02     0.10   0.11  -0.04
     7   7     0.09   0.15   0.01    -0.08  -0.04   0.00     0.10   0.06   0.01
     8   8    -0.03   0.00  -0.09     0.01   0.04   0.00     0.02   0.03   0.03
     9   1     0.12   0.02  -0.16    -0.10   0.09  -0.12    -0.19  -0.16   0.06
    10   1    -0.16   0.08   0.00    -0.19   0.12   0.04    -0.09   0.16   0.02
    11   1    -0.02  -0.05   0.32     0.01  -0.06  -0.04     0.04  -0.01  -0.09
    12   1    -0.34  -0.16   0.18     0.40   0.50  -0.01    -0.27  -0.28   0.07
    13   1    -0.47  -0.42  -0.04     0.36   0.13   0.08    -0.35  -0.18  -0.06
    14   1     0.14   0.07  -0.12     0.22   0.07  -0.16    -0.09  -0.12   0.04
    15   1    -0.20  -0.03  -0.01    -0.17  -0.05  -0.02     0.16  -0.06  -0.00
    16   1    -0.06   0.01  -0.07     0.11   0.05  -0.12     0.45   0.10  -0.09
    17   1    -0.00  -0.10  -0.06     0.01  -0.21  -0.12     0.05  -0.03  -0.07
    18   1    -0.01  -0.05  -0.05    -0.01  -0.21  -0.11     0.02  -0.40  -0.13
    19   1    -0.01   0.09  -0.02    -0.00   0.12  -0.03     0.06   0.05  -0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --    935.1830               951.9159               978.9412
 Red. masses --      1.4299                 1.6141                 1.5653
 Frc consts  --      0.7368                 0.8617                 0.8838
 IR Inten    --      6.8719                21.3275                15.1303
 RamAct Fr= 1--      1.7741                 3.3215                 2.0055
  Dep-P Fr= 1--      0.5512                 0.6462                 0.6061
  Dep-U Fr= 1--      0.7107                 0.7851                 0.7547
 Alpha2 Fr= 1--      0.0067                 0.0062                 0.0053
 Beta2  Fr= 1--      0.2101                 0.4346                 0.2523
 AlphaG Fr= 1--     -0.0214                -0.0111                -0.0116
 Gamma2 Fr= 1--      1.1780                 0.2301                -0.1631
 Delta2 Fr= 1--      0.8953                -0.1462                -0.0926
 Raman1 Fr= 1--       7.097                 13.286                  8.022
 ROA1   Fr= 1--     141.741                 17.406                -18.619
 CID1   Fr= 1--      19.973                  1.310                 -2.321
 Raman2 Fr= 1--       2.522                  5.215                  3.027
 ROA2   Fr= 1--      21.110                  6.691                 -3.173
 CID2   Fr= 1--       8.371                  1.283                 -1.048
 Raman3 Fr= 1--       5.043                 10.431                  6.055
 ROA3   Fr= 1--     141.741                 17.406                -18.619
 CID3   Fr= 1--      28.104                  1.669                 -3.075
 RC180  Fr= 1--       0.421                  0.570                  0.509
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04   0.08     0.10   0.01  -0.02    -0.04   0.10  -0.02
     2   6     0.05  -0.06   0.00     0.09  -0.00   0.00    -0.03  -0.09   0.01
     3   6    -0.08  -0.03  -0.03    -0.11  -0.05  -0.03    -0.07  -0.02  -0.01
     4   6     0.01  -0.02   0.03     0.01  -0.02   0.04    -0.00  -0.01   0.03
     5   8     0.01   0.00  -0.04     0.02   0.00  -0.06     0.01   0.00  -0.05
     6   6    -0.02  -0.08  -0.03    -0.06   0.01   0.06     0.11  -0.04   0.04
     7   7     0.01   0.05   0.00     0.02   0.06   0.00     0.02   0.02  -0.00
     8   8     0.01   0.02   0.01     0.02   0.02   0.02     0.01   0.01   0.01
     9   1    -0.22  -0.04  -0.05    -0.28  -0.07  -0.05    -0.20  -0.05  -0.02
    10   1     0.23   0.29  -0.03    -0.08  -0.14   0.00    -0.20  -0.28   0.02
    11   1     0.01  -0.00  -0.04     0.02  -0.00  -0.04     0.02   0.00  -0.01
    12   1    -0.03   0.07   0.06    -0.04   0.07   0.07    -0.05  -0.00   0.04
    13   1    -0.05  -0.04   0.00    -0.10  -0.07  -0.01    -0.09  -0.07  -0.01
    14   1    -0.01   0.12   0.12    -0.05  -0.12  -0.07     0.51   0.28  -0.24
    15   1     0.27   0.24  -0.03    -0.29  -0.22   0.06    -0.23   0.07  -0.04
    16   1    -0.41  -0.10   0.24     0.17   0.02  -0.13    -0.26  -0.00  -0.10
    17   1     0.03  -0.20  -0.19    -0.19  -0.41   0.02     0.06   0.42   0.13
    18   1    -0.03  -0.08  -0.19    -0.11   0.56   0.11     0.08  -0.04   0.11
    19   1     0.02   0.49  -0.02    -0.21  -0.16  -0.01     0.08  -0.11   0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1070.9353              1102.7718              1131.3548
 Red. masses --      1.3331                 2.4471                 2.6772
 Frc consts  --      0.9008                 1.7533                 2.0190
 IR Inten    --     12.5682                30.3743                50.2422
 RamAct Fr= 1--      2.8050                 2.1352                 3.1658
  Dep-P Fr= 1--      0.2081                 0.2867                 0.7443
  Dep-U Fr= 1--      0.3445                 0.4457                 0.8534
 Alpha2 Fr= 1--      0.0373                 0.0228                 0.0003
 Beta2  Fr= 1--      0.1610                 0.1586                 0.4503
 AlphaG Fr= 1--     -0.0117                -0.0132                -0.0024
 Gamma2 Fr= 1--     -0.6247                -0.4932                 0.2608
 Delta2 Fr= 1--     -0.3402                -0.9541                 1.1102
 Raman1 Fr= 1--      11.220                  8.541                 12.663
 ROA1   Fr= 1--     -70.856                -77.881                 60.564
 CID1   Fr= 1--      -6.315                 -9.119                  4.783
 Raman2 Fr= 1--       1.933                  1.903                  5.404
 ROA2   Fr= 1--     -12.270                 -4.205                 -2.622
 CID2   Fr= 1--      -6.349                 -2.209                 -0.485
 Raman3 Fr= 1--       3.865                  3.806                 10.807
 ROA3   Fr= 1--     -70.856                -77.881                 60.564
 CID3   Fr= 1--     -18.332                -20.461                  5.604
 RC180  Fr= 1--      -0.311                 -0.109                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02  -0.05    -0.03  -0.07  -0.07     0.06   0.06   0.02
     2   6     0.00  -0.01   0.07     0.10   0.13   0.06    -0.08  -0.13   0.08
     3   6    -0.03  -0.08  -0.05    -0.05   0.21   0.03    -0.15   0.17   0.01
     4   6     0.02  -0.00  -0.01    -0.02  -0.04   0.05     0.11  -0.05  -0.09
     5   8    -0.00   0.00   0.02     0.00  -0.01  -0.06    -0.01   0.03   0.11
     6   6    -0.01   0.02  -0.05    -0.06  -0.07   0.03     0.04   0.03  -0.08
     7   7    -0.03   0.08  -0.00     0.03  -0.11  -0.07     0.05  -0.08  -0.04
     8   8     0.00   0.00   0.00     0.00   0.01   0.01    -0.02   0.00  -0.02
     9   1     0.22  -0.44   0.02    -0.09  -0.02   0.04     0.10   0.29   0.04
    10   1     0.26  -0.21   0.13     0.47   0.06   0.12     0.04  -0.40   0.14
    11   1     0.00  -0.03  -0.08     0.01   0.04   0.21    -0.01  -0.07  -0.43
    12   1     0.14   0.49   0.18    -0.05   0.01   0.13    -0.12  -0.21   0.01
    13   1     0.03  -0.25   0.05    -0.18  -0.53  -0.07    -0.13  -0.14  -0.08
    14   1    -0.18  -0.07   0.12     0.03   0.09   0.04    -0.10  -0.02   0.09
    15   1     0.22   0.03  -0.01    -0.07   0.06   0.01     0.33   0.07  -0.03
    16   1     0.06  -0.01   0.09    -0.23  -0.06   0.08     0.13   0.00   0.09
    17   1     0.00   0.21   0.11     0.01   0.12   0.09    -0.08  -0.15   0.04
    18   1     0.04  -0.01   0.10     0.06  -0.14   0.08    -0.03   0.27   0.05
    19   1     0.04  -0.20   0.01     0.07  -0.33  -0.01    -0.10   0.06   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1177.2094              1195.9796              1249.1926
 Red. masses --      2.1025                 1.7403                 1.7444
 Frc consts  --      1.7167                 1.4666                 1.6038
 IR Inten    --    109.3359                 5.1116                 4.9430
 RamAct Fr= 1--      4.6943                 1.7186                 2.1762
  Dep-P Fr= 1--      0.7372                 0.6478                 0.2278
  Dep-U Fr= 1--      0.8487                 0.7863                 0.3711
 Alpha2 Fr= 1--      0.0010                 0.0032                 0.0274
 Beta2  Fr= 1--      0.6640                 0.2252                 0.1346
 AlphaG Fr= 1--     -0.0042                -0.0020                 0.0297
 Gamma2 Fr= 1--      0.9603                 0.1945                 0.4434
 Delta2 Fr= 1--     -0.0234                 0.1993                 0.1087
 Raman1 Fr= 1--      18.777                  6.874                  8.705
 ROA1   Fr= 1--      91.441                 25.048                 46.042
 CID1   Fr= 1--       4.870                  3.644                  5.289
 Raman2 Fr= 1--       7.968                  2.702                  1.615
 ROA2   Fr= 1--      23.235                  3.074                  9.771
 CID2   Fr= 1--       2.916                  1.137                  6.050
 Raman3 Fr= 1--      15.936                  5.405                  3.230
 ROA3   Fr= 1--      91.441                 25.048                 46.042
 CID3   Fr= 1--       5.738                  4.634                 14.254
 RC180  Fr= 1--       0.697                  0.573                 -0.258
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04   0.05    -0.10   0.03   0.06    -0.04   0.01  -0.08
     2   6    -0.07  -0.12   0.02     0.14  -0.11  -0.05     0.07  -0.01   0.16
     3   6     0.10   0.09  -0.03    -0.02   0.03  -0.01    -0.01  -0.05  -0.13
     4   6    -0.07  -0.03   0.10     0.01   0.00  -0.01    -0.02  -0.00   0.03
     5   8    -0.02  -0.03  -0.13     0.00   0.01   0.01    -0.01  -0.01  -0.02
     6   6     0.01   0.05  -0.06    -0.06   0.09   0.06    -0.03   0.01  -0.06
     7   7    -0.02  -0.02  -0.02     0.00  -0.01  -0.01     0.01  -0.00   0.05
     8   8     0.03   0.03   0.04    -0.01  -0.00  -0.01     0.01   0.01   0.01
     9   1     0.10   0.00  -0.03    -0.23   0.12  -0.06    -0.25   0.45  -0.20
    10   1    -0.14  -0.32   0.04     0.30  -0.24  -0.01     0.02   0.11   0.13
    11   1    -0.00   0.12   0.74     0.00  -0.02  -0.08    -0.01   0.02   0.11
    12   1     0.05   0.09   0.01    -0.00   0.02   0.02    -0.07  -0.32  -0.15
    13   1     0.02  -0.16   0.00    -0.02  -0.06  -0.01     0.05   0.43   0.00
    14   1    -0.15  -0.08   0.05    -0.17  -0.23  -0.06    -0.16  -0.02   0.12
    15   1     0.22  -0.02  -0.01    -0.21  -0.29   0.09     0.19   0.01  -0.01
    16   1     0.20   0.03   0.03     0.33   0.09  -0.13     0.04  -0.03   0.14
    17   1    -0.02  -0.09  -0.02     0.15   0.27  -0.09    -0.02   0.22   0.13
    18   1    -0.04   0.12  -0.03     0.03  -0.34  -0.08     0.08  -0.04   0.16
    19   1    -0.06   0.18   0.01     0.20   0.29   0.03     0.08  -0.25  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1311.3301              1339.4710              1356.4495
 Red. masses --      1.3467                 2.3217                 1.4342
 Frc consts  --      1.3644                 2.4543                 1.5547
 IR Inten    --      5.9385                28.3940                 0.2427
 RamAct Fr= 1--      0.9196                 2.6660                 3.6622
  Dep-P Fr= 1--      0.6810                 0.7250                 0.7455
  Dep-U Fr= 1--      0.8102                 0.8406                 0.8542
 Alpha2 Fr= 1--      0.0011                 0.0011                 0.0003
 Beta2  Fr= 1--      0.1242                 0.3735                 0.5214
 AlphaG Fr= 1--     -0.0056                -0.0028                 0.0048
 Gamma2 Fr= 1--     -0.4921                 0.0894                -0.6780
 Delta2 Fr= 1--     -0.2555                -0.3297                 0.0900
 Raman1 Fr= 1--       3.678                 10.664                 14.649
 ROA1   Fr= 1--     -55.413                 -1.965                -62.204
 CID1   Fr= 1--     -15.065                 -0.184                 -4.246
 Raman2 Fr= 1--       1.490                  4.482                  6.256
 ROA2   Fr= 1--      -9.766                  4.784                -16.991
 CID2   Fr= 1--      -6.554                  1.067                 -2.716
 Raman3 Fr= 1--       2.980                  8.964                 12.513
 ROA3   Fr= 1--     -55.413                 -1.965                -62.204
 CID3   Fr= 1--     -18.594                 -0.219                 -4.971
 RC180  Fr= 1--       0.620                  0.681                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.01    -0.02  -0.00  -0.02     0.03   0.01  -0.06
     2   6    -0.02   0.00  -0.04     0.05  -0.02   0.01    -0.09  -0.14   0.02
     3   6    -0.12  -0.04  -0.07    -0.07  -0.04   0.07     0.04   0.03   0.01
     4   6     0.00  -0.01  -0.00     0.18   0.04  -0.23     0.00  -0.00   0.01
     5   8    -0.02  -0.01  -0.02    -0.08  -0.04   0.02     0.00   0.00   0.00
     6   6     0.01   0.00   0.05    -0.00   0.00  -0.01     0.01   0.04   0.04
     7   7     0.02   0.00   0.02     0.01   0.01  -0.02    -0.01   0.00  -0.01
     8   8     0.03   0.02   0.04     0.00   0.01   0.07    -0.01  -0.00  -0.01
     9   1     0.77   0.18   0.06    -0.16   0.02   0.05    -0.17  -0.07  -0.01
    10   1     0.43   0.03   0.01    -0.29   0.25  -0.08     0.45   0.76  -0.06
    11   1    -0.01   0.03   0.22    -0.05   0.12   0.80     0.00  -0.01  -0.03
    12   1    -0.05  -0.13  -0.04     0.00   0.12   0.08     0.02   0.05   0.01
    13   1    -0.00   0.19  -0.01    -0.02  -0.08  -0.01     0.01  -0.06   0.01
    14   1     0.11  -0.00  -0.09    -0.03  -0.02   0.01     0.08  -0.05  -0.12
    15   1    -0.12  -0.03   0.03    -0.00  -0.02  -0.00    -0.04  -0.09   0.05
    16   1     0.00   0.02  -0.10    -0.02  -0.01   0.03     0.12   0.05  -0.09
    17   1     0.00  -0.03  -0.03     0.02   0.07   0.01    -0.06   0.09   0.15
    18   1    -0.01  -0.02  -0.04     0.01   0.02   0.07     0.02   0.16   0.10
    19   1    -0.01  -0.00   0.01     0.08  -0.01  -0.01    -0.07  -0.07  -0.04
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1375.8691              1401.0068              1404.2635
 Red. masses --      1.3481                 1.2831                 1.2425
 Frc consts  --      1.5035                 1.4839                 1.4435
 IR Inten    --      4.7605                 6.6998                 2.2518
 RamAct Fr= 1--      5.2976                 3.1229                 1.3054
  Dep-P Fr= 1--      0.7354                 0.6909                 0.7208
  Dep-U Fr= 1--      0.8475                 0.8172                 0.8377
 Alpha2 Fr= 1--      0.0013                 0.0032                 0.0007
 Beta2  Fr= 1--      0.7483                 0.4253                 0.1823
 AlphaG Fr= 1--     -0.0044                -0.0086                 0.0033
 Gamma2 Fr= 1--      0.2061                 0.1056                -0.2787
 Delta2 Fr= 1--     -0.2682                 0.4382                -0.1296
 Raman1 Fr= 1--      21.190                 12.492                  5.221
 ROA1   Fr= 1--      11.207                 24.161                -30.898
 CID1   Fr= 1--       0.529                  1.934                 -5.917
 Raman2 Fr= 1--       8.979                  5.104                  2.187
 ROA2   Fr= 1--       7.092                 -0.971                 -5.652
 CID2   Fr= 1--       0.790                 -0.190                 -2.584
 Raman3 Fr= 1--      17.959                 10.208                  4.374
 ROA3   Fr= 1--      11.207                 24.161                -30.898
 CID3   Fr= 1--       0.624                  2.367                 -7.064
 RC180  Fr= 1--       0.695                  0.634                  0.675
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01   0.03     0.02   0.01   0.00    -0.00  -0.08  -0.01
     2   6    -0.10   0.07  -0.01    -0.05   0.02   0.00    -0.01   0.03  -0.00
     3   6     0.05  -0.01  -0.05     0.03  -0.09   0.04     0.01  -0.05   0.02
     4   6     0.05   0.02  -0.06    -0.01   0.01   0.00    -0.01   0.00   0.00
     5   8    -0.02  -0.01   0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.02  -0.02   0.02     0.08   0.02  -0.01    -0.08  -0.04   0.02
     7   7    -0.00   0.00   0.04    -0.01   0.01  -0.06    -0.00   0.01  -0.03
     8   8    -0.01  -0.00   0.01     0.01   0.00   0.00     0.00   0.00   0.00
     9   1    -0.46  -0.20  -0.12    -0.09   0.71  -0.02    -0.02   0.37  -0.01
    10   1     0.59  -0.42   0.15     0.18  -0.08   0.05     0.05  -0.09   0.02
    11   1    -0.01   0.03   0.18     0.00  -0.01  -0.02     0.00  -0.01  -0.02
    12   1     0.01  -0.15  -0.11     0.04   0.26   0.12     0.02   0.14   0.06
    13   1     0.06   0.16   0.03    -0.03  -0.26  -0.02    -0.02  -0.13  -0.01
    14   1     0.07   0.06   0.01    -0.17  -0.17   0.15     0.26   0.28  -0.16
    15   1    -0.07   0.09  -0.01    -0.27  -0.09  -0.05     0.31   0.21   0.04
    16   1    -0.01   0.01  -0.09    -0.30   0.02   0.06     0.39  -0.03  -0.13
    17   1    -0.01  -0.08  -0.01    -0.04  -0.04   0.04     0.11   0.25   0.13
    18   1    -0.04   0.02  -0.09     0.01  -0.03  -0.04    -0.11   0.27   0.09
    19   1    -0.10   0.04   0.00    -0.09  -0.02  -0.00     0.00   0.33  -0.08
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1428.2318              1488.7476              1491.3000
 Red. masses --      1.2303                 1.0516                 1.0438
 Frc consts  --      1.4786                 1.3732                 1.3678
 IR Inten    --      8.3493                 1.5447                 3.2968
 RamAct Fr= 1--      0.4572                 1.3906                 6.4319
  Dep-P Fr= 1--      0.6290                 0.7499                 0.7499
  Dep-U Fr= 1--      0.7723                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0010                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0589                 0.1986                 0.9188
 AlphaG Fr= 1--     -0.0005                 0.0004                -0.0003
 Gamma2 Fr= 1--      0.0812                -0.0741                -0.4231
 Delta2 Fr= 1--      0.1188                -0.0509                 0.5278
 Raman1 Fr= 1--       1.829                  5.562                 25.728
 ROA1   Fr= 1--      11.594                 -8.742                -23.733
 CID1   Fr= 1--       6.339                 -1.572                 -0.922
 Raman2 Fr= 1--       0.706                  2.384                 11.025
 ROA2   Fr= 1--       0.998                 -1.371                -14.377
 CID2   Fr= 1--       1.413                 -0.575                 -1.304
 Raman3 Fr= 1--       1.412                  4.767                 22.050
 ROA3   Fr= 1--      11.594                 -8.742                -23.733
 CID3   Fr= 1--       8.209                 -1.834                 -1.076
 RC180  Fr= 1--       0.545                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.11  -0.02    -0.04   0.01  -0.01     0.01  -0.00   0.03
     2   6     0.01   0.01   0.00    -0.02  -0.02  -0.00     0.01  -0.02  -0.00
     3   6    -0.02   0.03  -0.02     0.01   0.00   0.00    -0.01   0.00  -0.00
     4   6     0.00  -0.01   0.01    -0.01  -0.00   0.00     0.00  -0.00   0.00
     5   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.06   0.02  -0.02     0.02  -0.03   0.00     0.00  -0.02  -0.04
     7   7     0.00  -0.01   0.02    -0.00   0.00  -0.00     0.00   0.00   0.00
     8   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     9   1     0.06  -0.19   0.00     0.01   0.02   0.00     0.02  -0.01   0.00
    10   1    -0.03  -0.02   0.00     0.04   0.03  -0.00     0.02   0.08  -0.02
    11   1     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.00  -0.00   0.00
    12   1    -0.02  -0.09  -0.04     0.01   0.01  -0.00    -0.00   0.00   0.00
    13   1     0.01   0.09   0.01    -0.00  -0.02   0.00    -0.00   0.01  -0.00
    14   1    -0.19  -0.18   0.15    -0.14   0.11   0.32    -0.01   0.43   0.37
    15   1    -0.25  -0.10  -0.05    -0.26   0.37  -0.12    -0.37  -0.03  -0.08
    16   1    -0.28   0.02   0.08     0.16   0.01  -0.23     0.33  -0.08   0.31
    17   1     0.14   0.37   0.21     0.00  -0.21  -0.27     0.19   0.20  -0.09
    18   1    -0.15   0.40   0.18     0.06   0.14   0.37    -0.17   0.09  -0.35
    19   1     0.03   0.49  -0.13     0.53   0.00   0.04    -0.20  -0.17   0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1506.2665              1514.3282              1660.1181
 Red. masses --      1.0506                 1.0503                 1.0917
 Frc consts  --      1.4044                 1.4190                 1.7726
 IR Inten    --      4.3139                12.1844                35.1487
 RamAct Fr= 1--      6.4139                 0.3113                 2.2488
  Dep-P Fr= 1--      0.7483                 0.7436                 0.5903
  Dep-U Fr= 1--      0.8560                 0.8529                 0.7423
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0067
 Beta2  Fr= 1--      0.9151                 0.0443                 0.2782
 AlphaG Fr= 1--     -0.0005                -0.0002                -0.0067
 Gamma2 Fr= 1--     -0.4661                 0.4029                -0.2221
 Delta2 Fr= 1--     -0.2181                 0.1535                -0.0031
 Raman1 Fr= 1--      25.656                  1.245                  8.995
 ROA1   Fr= 1--     -51.728                 43.595                -21.422
 CID1   Fr= 1--      -2.016                 35.009                 -2.381
 Raman2 Fr= 1--      10.981                  0.531                  3.339
 ROA2   Fr= 1--      -9.443                  8.443                 -5.307
 CID2   Fr= 1--      -0.860                 15.897                 -1.589
 Raman3 Fr= 1--      21.962                  1.062                  6.678
 ROA3   Fr= 1--     -51.728                 43.595                -21.422
 CID3   Fr= 1--      -2.355                 41.045                 -3.208
 RC180  Fr= 1--       0.712                  0.706                  0.485
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.03    -0.01   0.01  -0.02     0.00  -0.00   0.00
     2   6     0.03  -0.01  -0.01    -0.02   0.02  -0.03    -0.01   0.00  -0.00
     3   6    -0.01   0.01  -0.00     0.01  -0.01   0.00     0.03   0.01  -0.01
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.02   0.01    -0.01   0.01  -0.03    -0.00   0.00   0.00
     7   7     0.00  -0.00   0.00    -0.00   0.00   0.00     0.03  -0.07  -0.02
     8   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     9   1     0.04  -0.04   0.01     0.01  -0.01   0.00    -0.03  -0.05  -0.01
    10   1    -0.05  -0.01  -0.03     0.07  -0.06  -0.01     0.02  -0.02  -0.00
    11   1    -0.00   0.00   0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
    12   1    -0.00  -0.01  -0.00     0.00   0.00  -0.01    -0.19   0.34   0.57
    13   1    -0.00   0.01   0.00     0.01  -0.01   0.00    -0.39   0.57  -0.19
    14   1    -0.11   0.08   0.24     0.17   0.29  -0.04     0.00   0.00  -0.00
    15   1    -0.18   0.29  -0.09    -0.07  -0.43   0.05    -0.00  -0.00  -0.00
    16   1     0.16   0.01  -0.19     0.10  -0.08   0.54     0.00   0.00  -0.00
    17   1    -0.33  -0.04   0.49    -0.22  -0.22   0.10    -0.00  -0.01  -0.00
    18   1     0.22  -0.36   0.07     0.19  -0.10   0.37     0.00   0.00   0.01
    19   1    -0.36   0.25  -0.09     0.20   0.21  -0.04     0.00   0.01  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1808.2396              3012.7248              3027.7790
 Red. masses --      9.5529                 1.0814                 1.0392
 Frc consts  --     18.4034                 5.7831                 5.6132
 IR Inten    --    300.1219                 5.3406                22.5394
 RamAct Fr= 1--     17.8152               153.3005                14.1375
  Dep-P Fr= 1--      0.1883                 0.1704                 0.0982
  Dep-U Fr= 1--      0.3169                 0.2912                 0.1788
 Alpha2 Fr= 1--      0.2495                 2.2492                 0.2486
 Beta2  Fr= 1--      0.9409                 7.4412                 0.4214
 AlphaG Fr= 1--     -0.2039                 0.0913                 0.0416
 Gamma2 Fr= 1--     -0.0476                -0.7079                 0.1748
 Delta2 Fr= 1--      0.5610                -1.5457                -0.4201
 Raman1 Fr= 1--      71.261                613.202                 56.550
 ROA1   Fr= 1--      13.379               -117.416                  3.337
 CID1   Fr= 1--       0.188                 -0.191                  0.059
 Raman2 Fr= 1--      11.291                 89.294                  5.056
 ROA2   Fr= 1--      -5.631                 -4.623                  7.557
 CID2   Fr= 1--      -0.499                 -0.052                  1.494
 Raman3 Fr= 1--      22.582                178.589                 10.113
 ROA3   Fr= 1--      13.379               -117.416                  3.337
 CID3   Fr= 1--       0.592                 -0.657                  0.330
 RC180  Fr= 1--      -0.366                 -0.418                 -0.642
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00   0.01    -0.00   0.02   0.01
     2   6    -0.01   0.01  -0.00     0.01  -0.01  -0.08     0.00  -0.00  -0.01
     3   6    -0.06  -0.03  -0.02    -0.00   0.00   0.01    -0.00   0.00   0.00
     4   6     0.47   0.29   0.44     0.00   0.00  -0.00     0.00   0.00   0.00
     5   8    -0.04  -0.02  -0.04     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00   0.02     0.04  -0.00  -0.03
     7   7    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     8   8    -0.27  -0.18  -0.30    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   1     0.21   0.14   0.05     0.02  -0.01  -0.14     0.01  -0.00  -0.04
    10   1     0.01  -0.02   0.00    -0.12   0.15   0.93    -0.01   0.02   0.10
    11   1    -0.02   0.07   0.47     0.00  -0.00   0.00     0.00   0.00   0.00
    12   1     0.00   0.02   0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    13   1    -0.01  -0.03  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   1     0.01   0.01  -0.01     0.01   0.00   0.01    -0.32   0.20  -0.25
    15   1    -0.00  -0.00  -0.00     0.03  -0.04  -0.21    -0.10   0.12   0.63
    16   1    -0.01  -0.00   0.00     0.00   0.02   0.01    -0.00  -0.30  -0.05
    17   1    -0.01  -0.03  -0.02    -0.01   0.01  -0.00     0.19  -0.11   0.12
    18   1     0.01   0.01   0.04     0.02   0.00  -0.00    -0.21  -0.09   0.09
    19   1     0.04   0.01   0.01     0.01  -0.03  -0.14     0.03  -0.06  -0.36
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3033.0319              3070.8018              3084.7338
 Red. masses --      1.0380                 1.0857                 1.0993
 Frc consts  --      5.6262                 6.0321                 6.1630
 IR Inten    --     26.5189                10.7142                14.9337
 RamAct Fr= 1--    236.9398                60.4179                30.5983
  Dep-P Fr= 1--      0.0063                 0.0603                 0.6148
  Dep-U Fr= 1--      0.0125                 0.1137                 0.7614
 Alpha2 Fr= 1--      5.1885                 1.1646                 0.0759
 Beta2  Fr= 1--      0.4937                 1.1446                 3.8831
 AlphaG Fr= 1--     -0.2561                 0.2797                 0.0593
 Gamma2 Fr= 1--     -0.2738                 4.1124                15.6925
 Delta2 Fr= 1--     -0.2933                 3.4650                 9.9919
 Raman1 Fr= 1--     947.759                241.672                122.393
 ROA1   Fr= 1--     -35.672                505.672               1826.221
 CID1   Fr= 1--      -0.038                  2.092                 14.921
 Raman2 Fr= 1--       5.925                 13.735                 46.597
 ROA2   Fr= 1--      -4.225                 70.978                296.685
 CID2   Fr= 1--      -0.713                  5.168                  6.367
 Raman3 Fr= 1--      11.850                 27.470                 93.194
 ROA3   Fr= 1--     -35.672                505.672               1826.221
 CID3   Fr= 1--      -3.010                 18.408                 19.596
 RC180  Fr= 1--      -0.975                 -0.773                  0.523
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04  -0.02    -0.00  -0.00   0.01     0.00  -0.01   0.04
     2   6     0.00  -0.00  -0.01     0.00  -0.00  -0.01     0.00  -0.00  -0.01
     3   6    -0.00   0.00   0.01     0.01  -0.00  -0.08     0.00  -0.00  -0.01
     4   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.02  -0.00  -0.01     0.01  -0.00   0.01    -0.04   0.01  -0.07
     7   7     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1     0.02  -0.01  -0.08    -0.15   0.06   0.95    -0.01   0.01   0.09
    10   1    -0.02   0.02   0.14    -0.01   0.02   0.12    -0.01   0.01   0.08
    11   1     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    13   1    -0.00   0.00   0.00     0.01   0.00  -0.02     0.00   0.00  -0.00
    14   1    -0.19   0.12  -0.15    -0.10   0.06  -0.07     0.52  -0.32   0.37
    15   1    -0.06   0.07   0.35     0.01  -0.01  -0.05    -0.10   0.11   0.52
    16   1    -0.01  -0.18  -0.03    -0.00  -0.05  -0.00    -0.00   0.14   0.00
    17   1    -0.33   0.20  -0.21    -0.05   0.03  -0.03    -0.19   0.11  -0.11
    18   1     0.39   0.17  -0.16     0.08   0.03  -0.03     0.14   0.06  -0.05
    19   1    -0.04   0.10   0.56     0.00  -0.01  -0.04     0.02  -0.05  -0.28
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3093.8185              3100.0374              3124.8359
 Red. masses --      1.0996                 1.1016                 1.0987
 Frc consts  --      6.2011                 6.2375                 6.3207
 IR Inten    --     49.4785                33.7244                13.5284
 RamAct Fr= 1--     77.4461                62.5561                50.0816
  Dep-P Fr= 1--      0.5452                 0.7055                 0.5954
  Dep-U Fr= 1--      0.7057                 0.8273                 0.7464
 Alpha2 Fr= 1--      0.3042                 0.0483                 0.1438
 Beta2  Fr= 1--      9.1085                 8.6259                 6.2299
 AlphaG Fr= 1--      0.2069                -0.0454                -0.0408
 Gamma2 Fr= 1--    -19.2510                 4.8449                -2.3777
 Delta2 Fr= 1--    -13.1338                 4.1620                -0.9483
 Raman1 Fr= 1--     309.784                250.224                200.326
 ROA1   Fr= 1--   -2268.374                598.293               -258.605
 CID1   Fr= 1--      -7.322                  2.391                 -1.291
 Raman2 Fr= 1--     109.302                103.511                 74.758
 ROA2   Fr= 1--    -356.953                 82.981                -49.479
 CID2   Fr= 1--      -3.266                  0.802                 -0.662
 Raman3 Fr= 1--     218.603                207.021                149.517
 ROA3   Fr= 1--   -2268.374                598.293               -258.605
 CID3   Fr= 1--     -10.377                  2.890                 -1.730
 RC180  Fr= 1--       0.411                  0.655                  0.493
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.08    -0.09   0.01  -0.01     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.02    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.01     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   8    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.01   0.00  -0.03    -0.00  -0.00  -0.01     0.02  -0.09  -0.01
     7   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     8   8     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1    -0.02   0.01   0.13     0.00  -0.00   0.00    -0.00   0.00   0.01
    10   1    -0.02   0.03   0.18    -0.00   0.00   0.01    -0.01   0.01   0.03
    11   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.21  -0.13   0.15     0.05  -0.03   0.04    -0.23   0.13  -0.18
    15   1    -0.04   0.04   0.22    -0.01   0.01   0.04    -0.03   0.02   0.19
    16   1    -0.00   0.05   0.00     0.00   0.03   0.00     0.04   0.91   0.14
    17   1     0.29  -0.17   0.16     0.55  -0.34   0.35    -0.01   0.01  -0.00
    18   1    -0.44  -0.19   0.15     0.57   0.26  -0.23    -0.00  -0.00   0.00
    19   1    -0.04   0.13   0.63    -0.02   0.01   0.04     0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3490.3645              3569.0676              3729.6264
 Red. masses --      1.0484                 1.0938                 1.0642
 Frc consts  --      7.5251                 8.2089                 8.7218
 IR Inten    --      1.3575                 4.3036                66.7126
 RamAct Fr= 1--    112.3014                46.2389               109.9478
  Dep-P Fr= 1--      0.0766                 0.6629                 0.2178
  Dep-U Fr= 1--      0.1423                 0.7973                 0.3577
 Alpha2 Fr= 1--      2.0814                 0.0718                 1.4235
 Beta2  Fr= 1--      2.6628                 6.1441                 6.5556
 AlphaG Fr= 1--      0.5099                 0.0798                 0.1166
 Gamma2 Fr= 1--      1.5629                 0.5080                -1.0387
 Delta2 Fr= 1--      0.4339                -0.1196                 0.6300
 Raman1 Fr= 1--     449.206                184.956                439.791
 ROA1   Fr= 1--     163.926                 44.947                -79.560
 CID1   Fr= 1--       0.365                  0.243                 -0.181
 Raman2 Fr= 1--      31.953                 73.730                 78.667
 ROA2   Fr= 1--      34.039                 13.150                -29.970
 CID2   Fr= 1--       1.065                  0.178                 -0.381
 Raman3 Fr= 1--      63.907                147.459                157.334
 ROA3   Fr= 1--     163.926                 44.947                -79.560
 CID3   Fr= 1--       2.565                  0.305                 -0.506
 RC180  Fr= 1--      -0.715                  0.595                 -0.285
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.06  -0.03   0.01
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   7     0.04  -0.03  -0.02    -0.02   0.02  -0.08     0.00   0.00   0.00
     8   8     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   1    -0.00  -0.00   0.01    -0.00   0.00   0.02    -0.00  -0.00  -0.00
    10   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.90   0.41  -0.10
    12   1    -0.41   0.35  -0.40     0.48  -0.39   0.41     0.00  -0.00   0.00
    13   1    -0.16   0.08   0.72    -0.18   0.08   0.64     0.00  -0.00  -0.00
    14   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    18   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   633.433281171.676921443.30431
           X            0.99950  -0.02859  -0.01349
           Y            0.02838   0.99948  -0.01560
           Z            0.01393   0.01521   0.99979
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.13674     0.07392     0.06001
 Rotational constants (GHZ):           2.84914     1.54031     1.25042
 Zero-point vibrational energy     430915.6 (Joules/Mol)
                                  102.99130 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     72.12   104.55   240.99   306.48   323.30
          (Kelvin)            374.46   384.32   429.80   504.37   556.19
                              631.14   766.71   855.92   913.56  1112.99
                             1167.85  1219.80  1297.53  1345.52  1369.59
                             1408.48  1540.84  1586.64  1627.77  1693.74
                             1720.75  1797.31  1886.71  1927.20  1951.63
                             1979.57  2015.74  2020.42  2054.91  2141.98
                             2145.65  2167.18  2178.78  2388.54  2601.65
                             4334.64  4356.30  4363.86  4418.20  4438.24
                             4451.31  4460.26  4495.94  5021.86  5135.09
                             5366.10
 
 Zero-point correction=                           0.164127 (Hartree/Particle)
 Thermal correction to Energy=                    0.173697
 Thermal correction to Enthalpy=                  0.174641
 Thermal correction to Gibbs Free Energy=         0.129663
 Sum of electronic and zero-point Energies=           -402.405664
 Sum of electronic and thermal Energies=              -402.396094
 Sum of electronic and thermal Enthalpies=            -402.395150
 Sum of electronic and thermal Free Energies=         -402.440128
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  108.997             34.516             94.664
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.462
 Vibrational            107.219             28.555             26.015
 Vibration     1          0.595              1.978              4.812
 Vibration     2          0.599              1.967              4.080
 Vibration     3          0.624              1.882              2.463
 Vibration     4          0.644              1.821              2.018
 Vibration     5          0.649              1.803              1.921
 Vibration     6          0.668              1.745              1.660
 Vibration     7          0.672              1.733              1.615
 Vibration     8          0.692              1.676              1.424
 Vibration     9          0.727              1.574              1.164
 Vibration    10          0.755              1.499              1.013
 Vibration    11          0.799              1.386              0.831
 Vibration    12          0.888              1.177              0.581
 Vibration    13          0.953              1.043              0.459
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.228637D-59        -59.640854       -137.328142
 Total V=0       0.711703D+16         15.852299         36.501266
 Vib (Bot)       0.123935D-72        -72.906805       -167.874123
 Vib (Bot)    1  0.412382D+01          0.615300          1.416780
 Vib (Bot)    2  0.283720D+01          0.452890          1.042818
 Vib (Bot)    3  0.120415D+01          0.080682          0.185776
 Vib (Bot)    4  0.931283D+00         -0.030919         -0.071193
 Vib (Bot)    5  0.878519D+00         -0.056249         -0.129517
 Vib (Bot)    6  0.746183D+00         -0.127155         -0.292785
 Vib (Bot)    7  0.724566D+00         -0.139922         -0.322182
 Vib (Bot)    8  0.637083D+00         -0.195804         -0.450856
 Vib (Bot)    9  0.526116D+00         -0.278919         -0.642234
 Vib (Bot)   10  0.465554D+00         -0.332030         -0.764527
 Vib (Bot)   11  0.394504D+00         -0.403949         -0.930127
 Vib (Bot)   12  0.299309D+00         -0.523880         -1.206278
 Vib (Bot)   13  0.252319D+00         -0.598050         -1.377061
 Vib (V=0)       0.385787D+03          2.586347          5.955285
 Vib (V=0)    1  0.465402D+01          0.667829          1.537732
 Vib (V=0)    2  0.338092D+01          0.529035          1.218148
 Vib (V=0)    3  0.180383D+01          0.256197          0.589915
 Vib (V=0)    4  0.155702D+01          0.192294          0.442772
 Vib (V=0)    5  0.151084D+01          0.179218          0.412665
 Vib (V=0)    6  0.139821D+01          0.145574          0.335196
 Vib (V=0)    7  0.138034D+01          0.139986          0.322329
 Vib (V=0)    8  0.130986D+01          0.117225          0.269921
 Vib (V=0)    9  0.122581D+01          0.088423          0.203601
 Vib (V=0)   10  0.118318D+01          0.073052          0.168209
 Vib (V=0)   11  0.113689D+01          0.055720          0.128299
 Vib (V=0)   12  0.108274D+01          0.034524          0.079495
 Vib (V=0)   13  0.106006D+01          0.025330          0.058324
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.370492D+06          5.568779         12.822587
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3     3  3        33333333                                        1    1 11111111111 111 111                                    
     7     5  4        11000000                                        8    6 55444443333 211 110  9999 887    65 5   43322222 1     
     3     6  9        20987321                                        0    6 10982007531 497 307  7530 417    39 3   38596621 6  75 
     0     9  0        50451383                                        8    0 46198416691 967 131  9252 824    55 3   97197053 7  30 
 
     X     X  X        XXXXXXXX                                        X    X XXXXXXXXXXX XXX XXX  XXXX XXX    XX X   XXXXXXXX    XX 
     X                  XX  XX                                         X    X          X    X XX      X XX     XX                    
     X                   X                                             X                    X X       X XX     XX                    
     X                                                                 X                    X           XX      X                    
                                                                       X                    X            X      X                    
                                                                       X                    X                   X                    
                                                                       X                    X                                        
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000002364    0.000008364   -0.000003506
      2        6          -0.000002945   -0.000009678    0.000003667
      3        6           0.000002924   -0.000013778   -0.000005041
      4        6          -0.000004547    0.000003603   -0.000012835
      5        8          -0.000002952   -0.000003254    0.000009153
      6        6           0.000002797    0.000010544   -0.000002968
      7        7          -0.000006620    0.000000976   -0.000001468
      8        8           0.000005026    0.000003555    0.000000832
      9        1           0.000002883   -0.000002730   -0.000000041
     10        1          -0.000004172    0.000000848    0.000000958
     11        1           0.000002099    0.000001112   -0.000002274
     12        1          -0.000002178   -0.000001433    0.000004236
     13        1           0.000003747   -0.000000240    0.000004683
     14        1           0.000001026    0.000000602   -0.000000495
     15        1          -0.000000735    0.000001359    0.000001001
     16        1          -0.000000232   -0.000001171    0.000003035
     17        1           0.000000806    0.000000600   -0.000001403
     18        1          -0.000001030    0.000001914    0.000001580
     19        1           0.000001739   -0.000001191    0.000000886
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013778 RMS     0.000004352
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.881908D+02  0.301652D+01  0.356615D+00
      2   0.301652D+01  0.797801D+02  0.131154D+01
      3   0.356615D+00  0.131154D+01  0.739988D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.428748D+00 -0.461591D+01  0.244468D+01
      2   0.218454D+01 -0.312394D+01  0.209068D+02
      3   0.671096D+01 -0.380078D+02  0.320797D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.772407D+02 -0.190287D+02  0.555107D+01
      2  -0.307623D+02  0.177903D+02  0.327825D+01
      3  -0.464784D+02  0.123838D+01 -0.882932D+01
      4  -0.224766D+02  0.688819D+02 -0.834919D+01
      5   0.192398D-01 -0.916445D+01  0.253009D+02
      6  -0.306509D+01 -0.196010D+01 -0.127630D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.938894D+00  0.460983D+01 -0.314706D+01  0.421300D+01 -0.679644D+00
      2   0.460983D+01 -0.941313D+00  0.418991D+00 -0.679644D+00 -0.272412D+01
      3  -0.314706D+01  0.418991D+00 -0.923372D+00  0.328153D+00 -0.110048D+01
                 6             7             8             9            10 
      1   0.328153D+00 -0.346576D+01  0.490168D+00 -0.115709D+01  0.376772D+00
      2  -0.110048D+01  0.490168D+00 -0.167217D+01  0.278865D+01 -0.396430D+01
      3   0.214157D+01 -0.115709D+01  0.278865D+01  0.505537D+01  0.179974D+01
                11            12            13            14            15 
      1  -0.396430D+01  0.179974D+01 -0.528568D+01  0.840385D+00 -0.148205D+00
      2   0.134663D+01  0.188194D-01  0.840385D+00  0.415038D+01  0.666547D+00
      3   0.188194D-01  0.129153D+01 -0.148205D+00  0.666547D+00 -0.149150D+01
                16            17            18            19            20 
      1   0.327612D+01  0.166865D-01  0.186758D+01 -0.803397D+00  0.410041D+01
      2   0.166865D-01  0.118832D+01 -0.186342D+01  0.410041D+01  0.270004D+00
      3   0.186758D+01 -0.186342D+01 -0.776171D+01 -0.211253D+01 -0.245955D+00
                21            22            23            24            25 
      1  -0.211253D+01  0.271771D+01 -0.133763D+01 -0.399717D+00 -0.254187D+01
      2  -0.245955D+00 -0.133763D+01 -0.393612D+01 -0.118892D+01 -0.801100D-01
      3  -0.860715D+00 -0.399717D+00 -0.118892D+01  0.118298D+01 -0.127144D+01
                26            27            28            29            30 
      1  -0.801100D-01 -0.127144D+01  0.489196D+00  0.694559D-01  0.330568D+01
      2  -0.178305D+01  0.947513D+00  0.694559D-01  0.201396D+01  0.136687D+01
      3   0.947513D+00  0.644981D+01  0.330568D+01  0.136687D+01  0.260958D+01
                31            32            33            34            35 
      1   0.111493D+01  0.125388D+01  0.147063D+01  0.469949D+01  0.193074D+01
      2   0.125388D+01  0.513874D+00  0.144361D+01  0.193074D+01  0.214909D+01
      3   0.147063D+01  0.144361D+01  0.116009D+01  0.209846D+01  0.541057D+00
                36            37            38            39            40 
      1   0.209846D+01  0.546889D+01  0.187943D+01 -0.861843D+00  0.267244D+01
      2   0.541057D+00  0.187943D+01  0.660408D+00 -0.100702D+01  0.404501D+00
      3   0.150249D+00 -0.861843D+00 -0.100702D+01  0.113230D+01 -0.126306D+01
                41            42            43            44            45 
      1   0.404501D+00 -0.126306D+01  0.404499D+00 -0.490876D+00 -0.857693D+00
      2   0.112265D+01  0.105064D+01 -0.490876D+00  0.185257D+01  0.219631D+00
      3   0.105064D+01  0.862906D+00 -0.857693D+00  0.219631D+00  0.507562D+01
                46            47            48            49            50 
      1  -0.492052D-01  0.351075D+01 -0.245581D+01  0.410465D+01 -0.122561D+01
      2   0.351075D+01 -0.476925D+00  0.497589D+00 -0.122561D+01 -0.525920D+01
      3  -0.245581D+01  0.497589D+00 -0.226001D+01  0.635808D+00 -0.136687D+01
                51            52            53            54            55 
      1   0.635808D+00 -0.383857D+01  0.353824D+00 -0.314917D+01  0.283891D+01
      2  -0.136687D+01  0.353824D+00 -0.138337D+01  0.152426D+01 -0.254505D+01
      3   0.176978D+01 -0.314917D+01  0.152426D+01  0.530151D+01  0.121886D+01
                56            57            58            59            60 
      1  -0.254505D+01  0.121886D+01 -0.867207D+00  0.242839D+01 -0.405379D+00
      2   0.209102D+01 -0.631789D+00  0.242839D+01  0.431226D+01  0.100977D+01
      3  -0.631789D+00  0.245311D+01 -0.405379D+00  0.100977D+01 -0.100285D+01
                61            62            63            64            65 
      1   0.175274D+01 -0.799206D+00  0.278224D+01 -0.706321D+01 -0.255269D+01
      2  -0.799206D+00  0.102601D+01 -0.839817D+00 -0.255269D+01 -0.258700D+01
      3   0.278224D+01 -0.839817D+00 -0.326843D+01 -0.414115D+01 -0.105149D+01
                66            67            68            69            70 
      1  -0.414115D+01 -0.294313D+01 -0.227565D+01 -0.108337D+01 -0.548983D+01
      2  -0.105149D+01 -0.227565D+01 -0.304444D+01 -0.276502D+01 -0.174169D+01
      3  -0.350301D+01 -0.108337D+01 -0.276502D+01 -0.194183D+01 -0.378237D+01
                71            72            73            74            75 
      1  -0.174169D+01 -0.378237D+01  0.627218D+00 -0.533706D+00 -0.845735D+00
      2  -0.349739D+01 -0.197032D+01 -0.533706D+00  0.392838D+00  0.162161D-01
      3  -0.197032D+01 -0.699487D+01 -0.845735D+00  0.162161D-01  0.915875D+00
                76            77            78            79            80 
      1  -0.647115D+00  0.206312D+00  0.312170D-01 -0.149574D+01  0.158866D+00
      2   0.206312D+00  0.372459D+00 -0.945981D+00  0.158866D+00 -0.146624D+01
      3   0.312170D-01 -0.945981D+00 -0.377336D+00  0.412180D+00  0.249763D-01
                81            82            83            84            85 
      1   0.412180D+00 -0.635791D+00  0.844954D+00  0.871351D+00  0.982691D+00
      2   0.249763D-01  0.844954D+00 -0.398164D+00 -0.360050D-01 -0.230121D+00
      3  -0.703034D+01  0.871351D+00 -0.360050D-01 -0.480662D+00 -0.827890D-02
                86            87            88            89            90 
      1  -0.230121D+00 -0.827890D-02  0.157168D+01 -0.101455D+00 -0.364378D+00
      2  -0.124951D+00  0.108466D+01 -0.101455D+00  0.177978D+01  0.810736D+00
      3   0.108466D+01  0.957057D+00 -0.364378D+00  0.810736D+00  0.784915D+01
                91            92            93            94            95 
      1  -0.750966D+01 -0.181768D+01  0.296483D+01 -0.256492D+01 -0.148457D+01
      2  -0.181768D+01 -0.147102D+01  0.738120D+00 -0.148457D+01 -0.102512D+01
      3   0.296483D+01  0.738120D+00 -0.256550D+01  0.112202D+01  0.853712D+00
                96            97            98            99           100 
      1   0.112202D+01  0.987005D+00  0.223457D+00 -0.101356D+01 -0.233040D+01
      2   0.853712D+00  0.223457D+00  0.440255D+00 -0.309782D+00  0.257742D+01
      3  -0.109834D+01 -0.101356D+01 -0.309782D+00  0.151240D+01 -0.111626D+01
               101           102           103           104           105 
      1   0.257742D+01 -0.111626D+01  0.243916D+01 -0.230515D+01  0.923938D+00
      2  -0.345091D+01  0.119198D+01 -0.230515D+01  0.444471D+01 -0.124693D+01
      3   0.119198D+01 -0.129301D+01  0.923938D+00 -0.124693D+01  0.124040D+01
               106           107           108           109           110 
      1  -0.214299D+01  0.157642D+01 -0.136898D+01 -0.329327D+00  0.717879D+00
      2   0.157642D+01 -0.290415D+01  0.170586D+01  0.717879D+00 -0.627038D+00
      3  -0.136898D+01  0.170586D+01 -0.177234D+01  0.364971D+00 -0.545202D+00
               111           112           113           114           115 
      1   0.364971D+00  0.614900D+00 -0.264239D+00 -0.453982D+00  0.156197D+01
      2  -0.545202D+00 -0.264239D+00  0.124868D+01  0.765754D+00 -0.597307D+00
      3  -0.926804D+00 -0.453982D+00  0.765754D+00  0.943277D+00 -0.118035D+01
               116           117           118           119           120 
      1  -0.597307D+00 -0.118035D+01  0.701315D+01 -0.163028D+01  0.231232D+01
      2   0.269284D+01  0.193158D+01 -0.163028D+01  0.134463D+01 -0.527734D+00
      3   0.193158D+01  0.520605D+01  0.231232D+01 -0.527734D+00  0.190982D+01
               121           122           123           124           125 
      1  -0.341851D+01  0.160757D+01 -0.815111D+00  0.406899D+01 -0.640990D+00
      2   0.160757D+01 -0.891592D+00  0.855764D+00 -0.640990D+00  0.119019D+01
      3  -0.815111D+00  0.855764D+00 -0.110865D+01  0.235438D+01 -0.762592D+00
               126           127           128           129           130 
      1   0.235438D+01  0.135910D+01 -0.354142D+00 -0.991355D+00 -0.105852D+01
      2  -0.762592D+00 -0.354142D+00  0.268713D+00  0.190518D-01  0.527783D+00
      3   0.161579D+01 -0.991355D+00  0.190518D-01  0.117039D+01  0.261148D+00
               131           132           133           134           135 
      1   0.527783D+00  0.261148D+00 -0.279182D+01 -0.754371D-01  0.262605D+01
      2   0.522809D-01 -0.778982D+00 -0.754371D-01 -0.140765D+01 -0.351546D+00
      3  -0.778982D+00 -0.100257D+01  0.262605D+01 -0.351546D+00 -0.688199D+01
               136           137           138           139           140 
      1   0.270602D+00  0.107994D+01  0.363967D+00  0.267764D+01  0.180471D+01
      2   0.107994D+01  0.998067D+00  0.457473D-01  0.180471D+01  0.762801D+01
      3   0.363967D+00  0.457473D-01  0.350762D+00  0.623333D-01  0.638811D+00
               141           142           143           144           145 
      1   0.623333D-01  0.789996D+00  0.169489D+00  0.709553D+00  0.432969D+01
      2   0.638811D+00  0.169489D+00  0.887584D+00  0.805569D+00 -0.303178D+01
      3   0.108707D+01  0.709553D+00  0.805569D+00 -0.555656D-01  0.172731D+01
               146           147           148           149           150 
      1  -0.303178D+01  0.172731D+01 -0.229894D+01  0.227456D+01 -0.791894D+00
      2   0.349803D+01 -0.106904D+01  0.227456D+01 -0.333444D+01  0.130542D+01
      3  -0.106904D+01  0.160496D+01 -0.791894D+00  0.130542D+01 -0.119434D+01
               151           152           153           154           155 
      1   0.222142D+01 -0.124364D+01  0.146480D+01 -0.519161D+01 -0.211996D+01
      2  -0.124364D+01  0.230365D+01 -0.165526D+01 -0.211996D+01 -0.329281D+01
      3   0.146480D+01 -0.165526D+01  0.135370D+01  0.130366D+01  0.678065D+00
               156           157           158           159           160 
      1   0.130366D+01 -0.187703D+01 -0.175174D+01  0.485167D+00  0.171007D+01
      2   0.678065D+00 -0.175174D+01 -0.244590D+01  0.808736D+00  0.557433D+00
      3  -0.113061D+01  0.485167D+00  0.808736D+00 -0.929170D+00 -0.820792D+00
               161           162           163           164           165 
      1   0.557433D+00 -0.820792D+00  0.200189D+00 -0.840457D+00 -0.560941D+00
      2   0.147898D+01 -0.115242D+01 -0.840457D+00  0.360899D+00  0.122777D+00
      3  -0.115242D+01  0.587841D+00 -0.560941D+00  0.122777D+00  0.505367D+00
               166           167           168           169           170 
      1  -0.576059D+00  0.206259D+00  0.485799D-01 -0.127741D+01  0.293621D+00
      2   0.206259D+00 -0.105941D+01 -0.109023D+01  0.293621D+00 -0.287522D+01
      3   0.485799D-01 -0.109023D+01 -0.119854D+01  0.650592D+00 -0.239468D+01
               171 
      1   0.650592D+00
      2  -0.239468D+01
      3  -0.639223D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.673169D+01  0.784868D+00 -0.165281D+01  0.382894D+00 -0.499852D+01
      2  -0.370521D+01  0.112264D+01  0.812844D+00  0.560755D+00 -0.935719D+00
      3  -0.868118D+01 -0.135080D+02  0.653855D+01 -0.737293D+01  0.486643D+01
                 6             7             8             9            10 
      1   0.281344D+01 -0.257445D+01  0.950564D+01  0.105810D+02 -0.331486D+00
      2   0.252630D+01 -0.337687D+01  0.338913D+01  0.606104D+01  0.284703D+01
      3   0.699546D+00  0.710265D+01  0.273436D+00 -0.133933D+01  0.669502D+01
                11            12            13            14            15 
      1  -0.145564D+00  0.340083D+00 -0.103038D+01  0.224491D+01 -0.292683D+01
      2  -0.942942D-01  0.459080D+01 -0.790773D+00  0.610388D+00 -0.194971D+01
      3  -0.310641D+01  0.910313D-01  0.290123D+01 -0.544401D+01 -0.112948D+01
                16            17            18            19            20 
      1   0.756017D+00  0.349936D+01 -0.235322D+01 -0.132790D+01 -0.185302D+01
      2  -0.182765D+01 -0.247440D+01 -0.100113D+02  0.345689D+01 -0.228542D+00
      3   0.162231D+01 -0.185067D+01  0.228888D+01 -0.168826D+01 -0.318587D+01
                21            22            23            24            25 
      1  -0.299850D+00 -0.148823D+01  0.259006D+01  0.469863D+00  0.921310D+00
      2   0.398810D+00  0.173332D+01 -0.263629D+00  0.165093D+00 -0.624012D+01
      3  -0.110321D+00 -0.578805D+00 -0.472231D+01  0.192252D+01 -0.294612D+01
                26            27            28            29            30 
      1   0.489061D+01 -0.270458D+01 -0.218157D+01 -0.329082D+01  0.390259D+01
      2  -0.444810D-01 -0.764976D+00 -0.331033D+01 -0.201090D+00 -0.934321D+00
      3   0.167627D+01 -0.848559D+00 -0.834383D+01  0.547306D+01  0.939105D+00
                31            32            33            34            35 
      1   0.160728D+01 -0.159117D+01 -0.938850D+01  0.134219D+01 -0.588386D+01
      2   0.311375D+01 -0.176737D+01 -0.647571D+01  0.288637D+00 -0.269254D+01
      3   0.193566D+02  0.130337D+02 -0.695993D+00 -0.890670D+00 -0.237171D+01
                36            37            38            39            40 
      1   0.389493D+01  0.174910D+01 -0.281804D+00  0.590893D-01  0.173853D+00
      2  -0.287936D+01 -0.324436D+01  0.143968D+00  0.283843D-01 -0.664780D+00
      3   0.778942D+00  0.350205D+01 -0.533586D+00 -0.159482D+01  0.425169D+00
                41            42            43            44            45 
      1   0.924904D+00 -0.325572D+00 -0.136248D+00  0.581373D+01  0.481145D+00
      2  -0.341681D+01 -0.903322D+00 -0.683545D+01 -0.143988D+01 -0.868535D+01
      3   0.756608D+00  0.327901D+01  0.695466D-01  0.360292D+01  0.907849D+00
                46            47            48            49            50 
      1   0.107913D+01  0.512809D+00  0.570424D+00  0.135225D+01  0.193341D+01
      2  -0.901392D+01  0.141713D+01 -0.535027D+01  0.247278D+01 -0.413180D+01
      3  -0.919370D+01  0.119158D+01 -0.232103D+01  0.921461D+01  0.169535D+02
                51            52            53            54            55 
      1  -0.247231D+01  0.138624D+01  0.133432D+01 -0.258581D+01 -0.152434D+01
      2   0.467100D+01 -0.129869D+02  0.392362D+01  0.146428D+02  0.887403D+00
      3   0.364817D+01 -0.364473D+01  0.418259D+01 -0.596049D+01  0.750778D+01
                56            57            58            59            60 
      1   0.319233D+01 -0.732916D+01  0.254339D+01 -0.389098D+01 -0.255034D+01
      2   0.175300D+01  0.431359D+01  0.304150D-01  0.407444D+00  0.134492D+01
      3  -0.122801D+02  0.163706D+01  0.234874D+01  0.561688D+01 -0.263909D+01
                61            62            63            64            65 
      1  -0.729769D+01  0.745580D+01  0.797830D+01  0.227645D+01  0.609678D+01
      2  -0.160296D+01  0.524620D+00 -0.105095D+01 -0.198798D+00 -0.365664D-01
      3   0.354662D+01 -0.222745D+01  0.680711D+01  0.252204D+01 -0.727388D+01
                66            67            68            69            70 
      1  -0.294596D+01 -0.217945D+00  0.264925D+01 -0.128035D+01  0.624027D+00
      2   0.926193D+01 -0.354298D+01  0.399435D+01  0.544091D+01 -0.255592D+01
      3  -0.709489D+00 -0.283881D+01 -0.825673D+01 -0.261577D+01  0.272295D+00
                71            72            73            74            75 
      1   0.815750D+01 -0.217865D+01  0.972814D+00 -0.373337D+00 -0.340368D+00
      2   0.291909D+01  0.117228D+02  0.669945D+00 -0.609961D+00  0.909508D+00
      3  -0.225585D+01 -0.222269D+01  0.630306D+00 -0.742013D+00 -0.496638D+00
                76            77            78            79            80 
      1   0.501103D-01  0.390290D+00 -0.375952D+00 -0.550438D+00  0.350338D+01
      2  -0.850121D+00  0.257791D+00 -0.664757D-01 -0.391472D+01  0.302749D+00
      3   0.118750D+01 -0.634107D-02 -0.141527D+00 -0.494872D+00  0.158008D+00
                81            82            83            84            85 
      1   0.323458D+01  0.992727D+00 -0.644087D+00 -0.102334D+00 -0.190332D+00
      2   0.787651D+00  0.219798D+01 -0.598557D+00 -0.367682D+00 -0.110940D+01
      3  -0.113407D+00 -0.905958D+00 -0.728473D+00 -0.264174D+00  0.132025D+01
                86            87            88            89            90 
      1   0.652667D+00 -0.450025D+00 -0.601309D+00  0.410188D+01  0.209620D+01
      2   0.173469D+01  0.109874D+01 -0.481005D+01  0.138997D+01  0.966613D+01
      3   0.728494D-01 -0.111210D+01 -0.111681D+00 -0.175911D+01 -0.609607D+00
                91            92            93            94            95 
      1  -0.117978D+01 -0.188275D+01 -0.417057D+00 -0.107320D+01 -0.142849D+01
      2   0.221295D+01  0.301784D+00  0.385680D+01  0.741535D+00 -0.279425D+00
      3  -0.165565D+01 -0.418937D+01  0.949434D+00 -0.146652D+01 -0.276159D+01
                96            97            98            99           100 
      1  -0.274714D+00  0.739895D+00  0.793639D+00 -0.459922D+00  0.244770D+01
      2   0.176188D+01 -0.705060D+00 -0.447668D-01 -0.633953D+00 -0.145608D+01
      3   0.887146D+00  0.625034D+00  0.865430D+00 -0.501605D+00 -0.678063D+01
               101           102           103           104           105 
      1  -0.246459D+01  0.416584D+01 -0.245146D+01  0.205667D+01 -0.351420D+01
      2  -0.152732D+00  0.866974D+00  0.234387D+00  0.648456D-01 -0.737958D+00
      3   0.419329D+01 -0.276172D+01  0.763486D+01 -0.486676D+01  0.261111D+01
               106           107           108           109           110 
      1   0.335335D+01 -0.209375D+01  0.369914D+01 -0.113759D+01  0.975733D+00
      2  -0.124843D+01 -0.265651D+00  0.480381D+00  0.757557D+00  0.112425D+00
      3  -0.613886D+01  0.337139D+01 -0.363540D+01 -0.100912D+01  0.515464D+00
               111           112           113           114           115 
      1   0.324986D+01  0.990318D+00 -0.241578D+01 -0.260666D+01  0.343740D+01
      2  -0.111255D+00  0.231905D+00 -0.365764D-02 -0.147798D+00 -0.274662D+01
      3   0.683321D+00  0.168673D+01 -0.101740D+01 -0.116498D+01  0.420248D+01
               116           117           118           119           120 
      1  -0.278237D+01 -0.133154D+02 -0.563935D+00  0.648615D+00 -0.930578D-02
      2   0.712852D-01  0.510293D+00  0.617801D+01 -0.182993D+01  0.785524D+01
      3  -0.124947D+01 -0.348439D+01  0.658227D+01 -0.683667D+01  0.274204D+01
               121           122           123           124           125 
      1  -0.643832D-01 -0.704194D+00 -0.554467D+00 -0.327766D+00  0.165766D+01
      2  -0.207687D+01  0.242790D+01 -0.430735D+01  0.511005D+01 -0.246610D+01
      3  -0.414122D+01  0.413811D+01 -0.260254D+01  0.303444D+01 -0.474506D+01
               126           127           128           129           130 
      1  -0.465309D-01  0.582259D+00 -0.296252D+00 -0.719621D+00  0.608820D-01
      2   0.523670D+01 -0.257608D+01 -0.452913D-01  0.456382D+01  0.343317D-01
      3   0.310545D+01  0.148756D+01 -0.182612D+01 -0.569690D+00 -0.627185D+00
               131           132           133           134           135 
      1   0.688473D+00 -0.325881D+00 -0.904275D+00  0.336694D+01  0.291374D+01
      2  -0.197355D+01 -0.282677D+01  0.354489D+01 -0.129918D+01 -0.198256D+02
      3   0.122503D+00  0.173749D+01 -0.564965D+00  0.462619D+01  0.248592D+01
               136           137           138           139           140 
      1  -0.195829D+00 -0.312888D+00 -0.545871D+00 -0.148854D+00 -0.826728D+00
      2   0.121340D+01 -0.463536D-01  0.124638D+01 -0.116226D+00  0.205907D+01
      3  -0.344048D+01 -0.193680D+01  0.694340D-01  0.100566D+01 -0.225988D+02
               141           142           143           144           145 
      1  -0.286769D+01 -0.648717D+00  0.465182D+00 -0.826523D-04  0.333887D+01
      2   0.376886D+01  0.359219D+00  0.207640D+01 -0.329735D+00  0.100646D+01
      3  -0.192826D+01  0.427732D+00 -0.250978D+01 -0.137023D+01 -0.628337D+01
               146           147           148           149           150 
      1  -0.110991D+01  0.451994D+01 -0.156630D+01  0.205827D+01 -0.365808D+01
      2  -0.110905D+01  0.353738D+01 -0.401269D+00  0.133897D+01 -0.214564D+01
      3  -0.645418D+00 -0.242840D+01  0.434690D+01 -0.317946D+00  0.369102D+00
               151           152           153           154           155 
      1   0.285563D+01 -0.145998D+01  0.276905D+01  0.276644D+01  0.427591D+00
      2   0.211264D+00 -0.191862D+01  0.191927D+01  0.281085D+01  0.617394D+00
      3  -0.417537D+01 -0.942060D+00 -0.856258D+00  0.165597D+02  0.524845D+01
               156           157           158           159           160 
      1  -0.347306D+01  0.679740D+00  0.113098D+01 -0.275660D+01 -0.207904D+01
      2   0.322449D+00  0.640498D+00  0.997852D+00 -0.118400D-01 -0.252453D+01
      3  -0.373979D+01  0.768527D+01  0.532419D+01 -0.192776D+01 -0.488327D+01
               161           162           163           164           165 
      1  -0.785145D+00  0.105412D+01 -0.103139D+01  0.162824D-01  0.102758D+01
      2  -0.923430D+00  0.316569D+00 -0.555308D+00  0.140106D+00  0.119811D+01
      3  -0.191754D+01  0.283976D+01  0.986931D+00  0.279462D+00  0.690140D+00
               166           167           168           169           170 
      1   0.211971D+00 -0.212011D+01 -0.395463D+01  0.121235D+01 -0.164907D+01
      2  -0.241252D+00 -0.112135D+01 -0.120513D+01 -0.223464D+01 -0.253671D+01
      3   0.200779D+01  0.616068D+00  0.982160D+00  0.294744D+01  0.307244D+01
               171 
      1  -0.144021D+02
      2  -0.734117D+01
      3   0.172807D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.995971D+01  0.108034D+02 -0.746390D+01  0.838574D+01 -0.108720D+02
      2  -0.164202D+02 -0.431067D+01  0.305411D+01 -0.262276D+01  0.146946D+02
      3   0.646047D+01 -0.649270D+01  0.440978D+01 -0.576298D+01 -0.382263D+01
      4   0.728152D+01 -0.191036D+02  0.126002D+02 -0.169436D+02 -0.208454D+01
      5  -0.707238D+01  0.583507D+01 -0.424453D+01  0.390990D+01 -0.319921D+01
      6   0.153375D+02 -0.173938D+01  0.390232D+01 -0.172749D+01  0.749918D+01
                 6             7             8             9            10 
      1  -0.665990D+00 -0.783751D+01  0.327506D+00  0.439972D+01 -0.110097D+02
      2   0.497591D+01  0.187888D+01  0.615278D+01 -0.476521D+01  0.823296D+01
      3  -0.430992D+01  0.595863D+01 -0.648029D+01  0.365483D+00  0.277673D+01
      4  -0.377165D+01  0.121042D+02 -0.568857D+01  0.955393D+01 -0.118995D+02
      5   0.550902D+01 -0.565763D+01  0.737816D+01  0.119081D+02  0.503571D+01
      6  -0.858501D+01  0.490517D+01 -0.124813D+02 -0.187569D+02 -0.234241D+01
                11            12            13            14            15 
      1  -0.126313D+02  0.344584D+01 -0.152907D+02  0.972044D+01  0.164248D+01
      2   0.672009D+01 -0.382257D+01  0.917619D+01 -0.109500D+02  0.101664D+00
      3   0.591117D+01  0.376723D+00  0.611447D+01  0.122951D+01 -0.174414D+01
      4   0.480791D+01 -0.113329D+01  0.540988D+01  0.774891D+01  0.155599D+01
      5  -0.213465D+00  0.289543D+01 -0.196686D+00  0.154047D+01 -0.452519D+01
      6   0.495690D+00 -0.121478D+01  0.778108D+00 -0.204780D+01  0.241394D+00
                16            17            18            19            20 
      1   0.828109D+01  0.224035D+01  0.898821D+01 -0.119372D+02 -0.507108D+01
      2  -0.421455D+01  0.133117D+00  0.514800D+01  0.125589D+02  0.859448D+01
      3  -0.406654D+01 -0.237347D+01 -0.141362D+02 -0.621652D+00 -0.352340D+01
      4  -0.140075D+01  0.195731D+01 -0.443014D+01  0.147883D+01  0.303310D+01
      5   0.820118D+01 -0.376844D+01 -0.181772D+02  0.612672D+01  0.101895D+01
      6  -0.682540D+00  0.486508D+01  0.241511D+00  0.165717D+01 -0.165462D+00
                21            22            23            24            25 
      1   0.219348D+01  0.684913D+01  0.990931D+01  0.483855D+01 -0.311779D+01
      2  -0.267289D+01 -0.605698D+01 -0.183821D+02 -0.237144D+01 -0.767250D+00
      3   0.479409D+00 -0.792153D+00  0.847279D+01 -0.246711D+01  0.388504D+01
      4   0.235651D+01 -0.995338D+01 -0.362341D+00  0.174065D+01  0.852330D+00
      5   0.216768D+00  0.317237D+01  0.401962D+01  0.233081D+00  0.669116D+00
      6   0.497660D+00  0.190024D+01 -0.504007D+00 -0.253485D+01 -0.870404D-01
                26            27            28            29            30 
      1   0.401821D+01  0.598801D+01 -0.806847D+01 -0.909503D-01 -0.704312D+01
      2  -0.498628D+01  0.795938D+01  0.926767D+01 -0.157300D+00  0.577081D+01
      3   0.968067D+00 -0.139474D+02 -0.119920D+01  0.248250D+00  0.127232D+01
      4  -0.282409D+01  0.307487D+00 -0.541881D+01 -0.523374D+01 -0.638772D+01
      5   0.669992D+00  0.237952D+01 -0.172587D+02 -0.741997D+01 -0.193159D+02
      6   0.201499D+01  0.573427D+01 -0.493924D+01 -0.338242D+01 -0.570120D+01
                31            32            33            34            35 
      1  -0.480780D+01 -0.454752D+01 -0.361596D+01 -0.205811D+02 -0.844022D+01
      2   0.169516D+01  0.703163D+01  0.518495D+01  0.877320D+01  0.444578D+00
      3   0.311264D+01 -0.248412D+01 -0.156899D+01  0.118079D+02  0.799564D+01
      4   0.316211D+01 -0.936273D+01 -0.241789D+01 -0.132593D+02 -0.530259D+01
      5  -0.104863D+02 -0.590331D+01 -0.107276D+02 -0.191701D+02 -0.283008D+01
      6  -0.149250D+01 -0.543839D+01  0.498983D+00 -0.395037D+00 -0.859596D+01
                36            37            38            39            40 
      1  -0.214749D+01 -0.175420D+02 -0.763711D+01  0.420037D+01 -0.120291D+02
      2   0.751780D+01  0.753946D+01  0.330267D+01 -0.941514D+00  0.732995D+01
      3  -0.537030D+01  0.100026D+02  0.433445D+01 -0.325885D+01  0.469915D+01
      4  -0.243654D+01 -0.116229D+02 -0.345278D+00  0.571171D+01 -0.146990D+00
      5  -0.481287D+01  0.102633D+02  0.773284D+01  0.100618D+01  0.916094D+01
      6  -0.284000D+01  0.549461D+01  0.956918D+00 -0.215151D+01  0.186357D+01
                41            42            43            44            45 
      1  -0.577564D+01  0.519683D+01  0.201312D+01  0.154692D+01 -0.122710D+02
      2   0.485412D+01 -0.455218D+01  0.371247D+01  0.191688D+01 -0.114733D+02
      3   0.921518D+00 -0.644652D+00 -0.572559D+01 -0.346380D+01  0.237443D+02
      4  -0.377096D+01 -0.458962D+01  0.512687D+01 -0.370948D+01 -0.380139D+01
      5  -0.326237D+01 -0.427248D+01  0.110976D+02 -0.280014D+01 -0.213657D+02
      6   0.159105D+01  0.576579D+01 -0.255909D+01  0.876025D+01 -0.149915D+01
                46            47            48            49            50 
      1  -0.805803D+00  0.210769D+02 -0.165954D+02  0.243918D+02 -0.368734D+01
      2   0.136003D+01 -0.126663D+02  0.782226D+01 -0.161481D+02 -0.347222D+01
      3  -0.554226D+00 -0.841057D+01  0.877310D+01 -0.824372D+01  0.715956D+01
      4   0.212858D+02 -0.224128D+01  0.240089D+01 -0.660694D+01 -0.246986D+02
      5  -0.185421D+02  0.314768D+01 -0.129146D+02  0.435163D+01 -0.889505D+01
      6  -0.214898D+00 -0.260034D+00  0.193930D+00 -0.146947D+01 -0.224915D+01
                51            52            53            54            55 
      1   0.583920D+01 -0.216973D+02  0.365736D+01 -0.120155D+02  0.167716D+02
      2  -0.306128D+01  0.852614D+01 -0.197665D+01  0.138246D+02 -0.152318D+02
      3  -0.277792D+01  0.131712D+02 -0.168071D+01 -0.180916D+01 -0.153983D+01
      4  -0.694067D+01  0.330807D+01 -0.568721D+01  0.815862D+01  0.857667D+01
      5   0.102155D+02 -0.196435D+02  0.886806D+01  0.277361D+02 -0.237587D+01
      6   0.124135D+01  0.332293D+00 -0.681875D+00  0.147659D+01  0.525812D+01
                56            57            58            59            60 
      1  -0.337013D+01 -0.351913D-01 -0.643276D+01 -0.182230D+02 -0.368172D+01
      2   0.674792D+01 -0.224577D+01  0.123732D+02  0.307543D+02  0.463716D+01
      3  -0.337779D+01  0.228096D+01 -0.594040D+01 -0.125313D+02 -0.955440D+00
      4  -0.546257D+01  0.384355D+01  0.217741D+01  0.120322D+02 -0.398407D+01
      5   0.226750D+01  0.116138D+01 -0.855332D-01 -0.328079D+01  0.188478D+01
      6  -0.436714D+01  0.115115D+02 -0.495101D+01  0.529271D+01  0.165248D+01
                61            62            63            64            65 
      1   0.182812D+01 -0.606564D+00  0.172494D+01  0.381996D+02  0.864189D+01
      2  -0.249258D+01  0.518215D+01 -0.176219D+01 -0.248775D+02 -0.413855D+01
      3   0.664464D+00 -0.457558D+01  0.372487D-01 -0.133220D+02 -0.450334D+01
      4   0.454775D+01 -0.335450D+01  0.101328D+02  0.135074D+02  0.148604D+02
      5   0.219352D+01  0.368452D+01  0.273011D+00  0.276597D+02  0.665685D+01
      6   0.136357D+02 -0.991842D+00 -0.130693D+02  0.509506D+01  0.627395D+01
                66            67            68            69            70 
      1   0.127571D+02  0.532165D+01  0.457129D+00 -0.836438D+00  0.180981D+02
      2  -0.117503D+02 -0.541648D+00  0.574623D+01  0.261973D+00 -0.161979D+02
      3  -0.100687D+01 -0.478001D+01 -0.620336D+01  0.574465D+00 -0.190017D+01
      4   0.655277D+01  0.168435D+02  0.172894D+02  0.111161D+02  0.915212D+01
      5   0.282106D+02  0.816627D+01  0.128730D+02  0.112189D+02  0.283222D+02
      6   0.513882D+01  0.470596D+01  0.896851D+01  0.116147D+02  0.530275D+01
                71            72            73            74            75 
      1   0.301644D+01  0.896892D+00  0.104062D+01 -0.899907D-01  0.804504D-01
      2  -0.326839D+01 -0.148879D+02 -0.400244D+01  0.200875D-01  0.137921D+01
      3   0.251940D+00  0.139910D+02  0.296183D+01  0.699032D-01 -0.145966D+01
      4   0.106513D+02  0.746015D+01  0.544863D+00  0.139638D+01 -0.122305D+01
      5   0.955568D+01  0.347660D+02 -0.224451D+01 -0.326986D+00  0.606225D+01
      6   0.121283D+02  0.900724D+01 -0.118479D+01 -0.748533D+00  0.777007D+00
                76            77            78            79            80 
      1   0.130400D+00 -0.392844D+01 -0.543065D+00  0.295236D+00  0.143907D+01
      2   0.119295D+00  0.135713D+01 -0.147444D+01  0.184772D+01 -0.215105D+01
      3  -0.249695D+00  0.257131D+01  0.201750D+01 -0.214296D+01  0.711982D+00
      4   0.192453D+01 -0.338095D+00 -0.615400D+00 -0.630091D+00 -0.359350D-01
      5  -0.698115D-01 -0.994543D+00 -0.636325D+00  0.447308D+01  0.240514D+00
      6  -0.586972D+00 -0.245353D+00  0.550090D+01  0.751843D-01  0.411595D+01
                81            82            83            84            85 
      1  -0.147795D+02  0.146929D+01  0.224670D+01  0.259828D+01  0.288218D+01
      2  -0.136858D+02 -0.396860D+01 -0.856426D+00  0.135721D+00 -0.165818D+01
      3   0.284654D+02  0.249930D+01 -0.139027D+01 -0.273400D+01 -0.122400D+01
      4   0.666942D+00  0.210470D+01  0.684740D+00  0.131932D+00  0.119181D+01
      5  -0.297752D+01  0.738909D+00  0.227486D+00  0.456338D+01  0.121572D+00
      6  -0.682540D+01  0.872628D-01 -0.417599D+00 -0.429459D+00 -0.197991D+00
                86            87            88            89            90 
      1  -0.460047D+01 -0.143176D+01  0.459697D+01 -0.612954D+00 -0.159297D+02
      2   0.154463D+01 -0.118919D+01 -0.169923D+01 -0.235733D+01 -0.142086D+02
      3   0.305584D+01  0.262096D+01 -0.289774D+01  0.297028D+01  0.301384D+02
      4  -0.429439D+00  0.206993D+01  0.429478D+00  0.316964D+01  0.224462D+01
      5   0.226052D+01  0.193020D+01  0.310544D+01  0.167725D+01  0.164646D+02
      6   0.187664D+01  0.651751D+01  0.468896D-01  0.407405D+01  0.269778D+00
                91            92            93            94            95 
      1   0.357237D+02  0.771031D+01 -0.115787D+02  0.952941D+01  0.449782D+01
      2  -0.204652D+02 -0.390549D+01  0.865560D+01 -0.431060D+01 -0.873568D+00
      3  -0.152584D+02 -0.380482D+01  0.292308D+01 -0.521881D+01 -0.362425D+01
      4   0.105271D+02  0.769241D+01 -0.424061D+01  0.100713D+02  0.596333D+01
      5  -0.232155D+02 -0.575896D+01  0.152569D+02 -0.837393D+01 -0.539692D+01
      6  -0.516980D+01 -0.335511D+01  0.299512D+01 -0.400590D+01 -0.288522D+01
                96            97            98            99           100 
      1  -0.364334D+01 -0.138912D+01 -0.322050D-01  0.228510D+01 -0.182318D+01
      2   0.270163D+01  0.357771D+01  0.876114D+00 -0.408894D+01  0.761506D+01
      3   0.941706D+00 -0.218859D+01 -0.843909D+00  0.180384D+01 -0.579189D+01
      4  -0.424572D+01 -0.950438D+00 -0.111495D+01  0.149161D+01 -0.114310D+02
      5   0.594854D+01  0.752390D+01  0.195336D+01 -0.770476D+01  0.337994D+01
      6   0.331161D+01  0.128780D+01  0.154292D+01 -0.166953D+01 -0.655489D+01
               101           102           103           104           105 
      1   0.716876D+01 -0.209957D+01  0.417370D+01 -0.106582D+02  0.316912D+01
      2  -0.145658D+02  0.396426D+01 -0.949477D+01  0.198264D+02 -0.566924D+01
      3   0.739700D+01 -0.186469D+01  0.532107D+01 -0.916822D+01  0.250012D+01
      4   0.153007D+02 -0.587528D+01  0.135182D+02 -0.124170D+02  0.509496D+01
      5  -0.311115D+01  0.380099D+01 -0.147593D+01  0.279142D+01 -0.171624D+01
      6   0.830453D+01 -0.761405D+01  0.624574D+01 -0.845751D+01  0.764128D+01
               106           107           108           109           110 
      1  -0.320980D+01  0.644237D+01 -0.528151D+01 -0.147553D+01  0.186546D+01
      2   0.454970D+01 -0.927261D+01  0.424142D+01  0.197362D+01 -0.247920D+01
      3  -0.133990D+01  0.283023D+01  0.104009D+01 -0.498093D+00  0.613744D+00
      4  -0.880344D+01  0.782812D+01 -0.648574D+01 -0.135465D+01  0.436763D+01
      5   0.386354D+01 -0.305799D+01  0.335205D+01 -0.127904D+01  0.689815D+00
      6  -0.757562D+01  0.108431D+02 -0.924633D+01  0.112323D+01 -0.351552D+01
               111           112           113           114           115 
      1   0.190693D+01  0.554103D+00 -0.411598D+01 -0.214163D+01  0.112060D+01
      2  -0.160431D+01 -0.100529D+01  0.571063D+01  0.312994D+01 -0.100777D+01
      3  -0.302612D+00  0.451190D+00 -0.159465D+01 -0.988312D+00 -0.112831D+00
      4   0.153027D+01  0.398458D+01 -0.164010D+01 -0.249121D+01  0.558237D+01
      5   0.242350D+01  0.333359D+00 -0.129735D+01 -0.101838D+01  0.244994D+01
      6  -0.497406D+01 -0.280343D+01  0.355587D+01  0.668249D+01 -0.568320D+01
               116           117           118           119           120 
      1  -0.781509D+01 -0.899424D+01  0.515468D+02 -0.106591D+02  0.154562D+02
      2   0.891663D+01  0.156897D+01 -0.282572D+02  0.546187D+01 -0.931839D+01
      3  -0.110154D+01  0.742527D+01 -0.232897D+02  0.519721D+01 -0.613785D+01
      4  -0.348840D+01 -0.435108D+01 -0.105560D+02  0.106008D+02 -0.343461D+01
      5  -0.180879D+01 -0.349568D+01  0.183371D+02 -0.411372D+01  0.154926D+02
      6   0.104310D+02  0.231979D+02 -0.199413D+00  0.612079D+00  0.120183D+00
               121           122           123           124           125 
      1  -0.211127D+02  0.743544D+01 -0.477639D+01  0.243449D+02 -0.348202D+01
      2   0.114202D+02 -0.180395D+01  0.295189D+01 -0.148770D+02  0.226505D+01
      3   0.969250D+01 -0.563149D+01  0.182450D+01 -0.946790D+01  0.121698D+01
      4   0.122114D+02 -0.747570D+01  0.549899D+01 -0.462113D+01  0.752990D+01
      5  -0.677520D+01  0.566213D+01 -0.803198D+01  0.185779D+02 -0.532225D+01
      6   0.137258D+01 -0.145057D+01  0.181385D+01 -0.632546D+00  0.222907D+01
               126           127           128           129           130 
      1   0.112390D+02  0.873431D+01 -0.245309D+01 -0.558386D+01 -0.581829D+01
      2  -0.103857D+02 -0.715699D+01  0.165684D+01  0.463583D+01  0.384676D+01
      3  -0.853281D+00 -0.157732D+01  0.796245D+00  0.948029D+00  0.197152D+01
      4  -0.463708D+01 -0.190589D+01  0.272570D+01  0.292976D-02  0.417755D+01
      5   0.128073D+02 -0.703195D+01  0.387157D+00  0.119668D+02  0.208329D+01
      6  -0.122213D+01  0.666052D-01 -0.172121D+00  0.790954D+00 -0.146871D+01
               131           132           133           134           135 
      1   0.270707D+00 -0.173004D+00 -0.133664D+02 -0.826345D+00  0.304595D+01
      2  -0.179484D+00 -0.125317D+01  0.117057D+02 -0.212854D+00 -0.169897D+02
      3  -0.912235D-01  0.142618D+01  0.166078D+01  0.103920D+01  0.139437D+02
      4   0.119028D+00 -0.448888D+01 -0.652290D+00 -0.777502D+01 -0.266358D+01
      5  -0.408151D+01 -0.552679D+01  0.201634D+02 -0.248411D+01 -0.399782D+02
      6   0.136870D+01  0.383444D+01  0.293284D+00  0.453081D+01 -0.182737D+01
               136           137           138           139           140 
      1   0.210237D+01  0.367306D+01  0.229648D+01  0.124750D+02 -0.945015D+00
      2   0.167123D+01  0.634653D+00 -0.109206D+01 -0.372986D+01  0.149578D+02
      3  -0.377360D+01 -0.430771D+01 -0.120442D+01 -0.874517D+01 -0.140128D+02
      4   0.495910D+01  0.996750D+01  0.563298D+00  0.156673D+02  0.392611D+02
      5   0.220724D+01  0.220448D+00  0.264959D+01  0.358140D+00  0.448899D+01
      6   0.310865D+00 -0.149613D+00  0.713972D+00  0.809912D+00  0.194003D+01
               141           142           143           144           145 
      1  -0.787059D+00  0.424948D+01 -0.803429D+00  0.810347D+00  0.131589D+02
      2   0.136555D+01 -0.191311D+01  0.121259D+01 -0.950207D+00  0.722790D+00
      3  -0.578492D+00 -0.233637D+01 -0.409161D+00  0.139860D+00 -0.138817D+02
      4   0.363079D+01  0.130731D+01  0.419343D+01  0.371783D+01 -0.255687D+02
      5   0.683104D+01  0.511958D+01  0.431229D+01 -0.493101D+00  0.881146D+01
      6   0.467458D+01  0.112289D+01  0.511765D+01  0.152744D+01 -0.889041D+01
               146           147           148           149           150 
      1  -0.215987D+01  0.300559D+01 -0.218786D+01 -0.300911D+01  0.156342D+01
      2  -0.954922D+01 -0.568637D-01 -0.658163D+01  0.145119D+02 -0.467757D+01
      3   0.117091D+02 -0.294873D+01  0.876949D+01 -0.115028D+02  0.311415D+01
      4   0.235078D+02 -0.974004D+01  0.180402D+02 -0.191269D+02  0.706982D+01
      5  -0.562117D+01  0.832073D+01 -0.372534D+01  0.544421D+01 -0.444025D+01
      6   0.705024D+01 -0.884454D+01  0.535586D+01 -0.850437D+01  0.807926D+01
               151           152           153           154           155 
      1   0.433430D+01  0.267198D+01 -0.930628D+00 -0.799014D+01 -0.133843D+02
      2  -0.640907D+00 -0.720301D+01  0.864043D+00  0.970866D+01  0.173508D+02
      3  -0.369339D+01  0.453104D+01  0.665852D-01 -0.171853D+01 -0.396648D+01
      4  -0.118109D+02  0.110707D+02 -0.941721D+01  0.150951D+02  0.770855D+01
      5   0.833255D+01 -0.650389D+01  0.697716D+01 -0.107072D+01 -0.130778D+01
      6  -0.759723D+01  0.101826D+02 -0.757160D+01 -0.680123D+01 -0.486467D+01
               156           157           158           159           160 
      1   0.441702D+01 -0.837298D+01 -0.105158D+02  0.334954D+01  0.438051D+01
      2  -0.321691D+01  0.106302D+02  0.155706D+02 -0.420653D+01 -0.250252D+01
      3  -0.120011D+01 -0.225721D+01 -0.505480D+01  0.856990D+00 -0.187798D+01
      4  -0.463736D+01  0.921217D+01  0.523281D+01 -0.138937D+01 -0.560605D+01
      5   0.156134D+01 -0.479258D+00 -0.208226D+00 -0.251643D+00  0.262789D+01
      6   0.637004D+01 -0.335608D+01 -0.509313D+01  0.585833D+01  0.427567D+01
               161           162           163           164           165 
      1   0.527404D+01 -0.533115D+01 -0.467126D+00 -0.161747D+01 -0.148264D+01
      2  -0.652158D+01  0.313002D+01  0.935749D+00  0.128458D+00  0.106598D+01
      3   0.124754D+01  0.220112D+01 -0.468623D+00  0.148902D+01  0.416655D+00
      4  -0.521987D+00  0.147355D+01 -0.258704D+01  0.551296D+01  0.228943D+01
      5  -0.681975D+00 -0.165064D+01 -0.211275D+01  0.100092D+01  0.488543D+01
      6   0.716665D+01 -0.350430D+01  0.186664D+01 -0.555793D+00 -0.208188D+01
               166           167           168           169           170 
      1  -0.651925D+00 -0.459905D+01 -0.417714D+01 -0.258109D+01 -0.888979D+01
      2  -0.419170D+00  0.547466D+01  0.489311D+01  0.150357D+01  0.997552D+01
      3   0.107110D+01 -0.875611D+00 -0.715968D+00  0.107751D+01 -0.108573D+01
      4   0.424954D+01 -0.292387D+01 -0.248609D+01  0.532380D+01 -0.689769D+01
      5   0.105143D-01 -0.256104D+01 -0.262417D+01  0.594114D+01 -0.606563D+01
      6  -0.615813D+00  0.609432D+01  0.101898D+02 -0.304881D+01  0.145287D+02
               171 
      1  -0.110299D+02
      2  -0.389207D+00
      3   0.114191D+02
      4  -0.698478D+01
      5  -0.156516D+02
      6   0.278888D+02
 Leave Link  716 at Mon Sep 27 14:51:04 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.881908D+02  0.301652D+01  0.356615D+00
      2   0.301652D+01  0.797801D+02  0.131154D+01
      3   0.356615D+00  0.131154D+01  0.739988D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.428748D+00 -0.461591D+01  0.244468D+01
      2   0.218454D+01 -0.312394D+01  0.209068D+02
      3   0.671096D+01 -0.380078D+02  0.320797D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.772407D+02 -0.190287D+02  0.555107D+01
      2  -0.307623D+02  0.177903D+02  0.327825D+01
      3  -0.464784D+02  0.123838D+01 -0.882932D+01
      4  -0.224766D+02  0.688819D+02 -0.834919D+01
      5   0.192398D-01 -0.916445D+01  0.253009D+02
      6  -0.306509D+01 -0.196010D+01 -0.127630D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.938894D+00  0.460983D+01 -0.314706D+01  0.421300D+01 -0.679644D+00
      2   0.460983D+01 -0.941313D+00  0.418991D+00 -0.679644D+00 -0.272412D+01
      3  -0.314706D+01  0.418991D+00 -0.923372D+00  0.328153D+00 -0.110048D+01
                 6             7             8             9            10 
      1   0.328153D+00 -0.346576D+01  0.490168D+00 -0.115709D+01  0.376772D+00
      2  -0.110048D+01  0.490168D+00 -0.167217D+01  0.278865D+01 -0.396430D+01
      3   0.214157D+01 -0.115709D+01  0.278865D+01  0.505537D+01  0.179974D+01
                11            12            13            14            15 
      1  -0.396430D+01  0.179974D+01 -0.528568D+01  0.840385D+00 -0.148205D+00
      2   0.134663D+01  0.188194D-01  0.840385D+00  0.415038D+01  0.666547D+00
      3   0.188194D-01  0.129153D+01 -0.148205D+00  0.666547D+00 -0.149150D+01
                16            17            18            19            20 
      1   0.327612D+01  0.166865D-01  0.186758D+01 -0.803397D+00  0.410041D+01
      2   0.166865D-01  0.118832D+01 -0.186342D+01  0.410041D+01  0.270004D+00
      3   0.186758D+01 -0.186342D+01 -0.776171D+01 -0.211253D+01 -0.245955D+00
                21            22            23            24            25 
      1  -0.211253D+01  0.271771D+01 -0.133763D+01 -0.399717D+00 -0.254187D+01
      2  -0.245955D+00 -0.133763D+01 -0.393612D+01 -0.118892D+01 -0.801100D-01
      3  -0.860715D+00 -0.399717D+00 -0.118892D+01  0.118298D+01 -0.127144D+01
                26            27            28            29            30 
      1  -0.801100D-01 -0.127144D+01  0.489196D+00  0.694559D-01  0.330568D+01
      2  -0.178305D+01  0.947513D+00  0.694559D-01  0.201396D+01  0.136687D+01
      3   0.947513D+00  0.644981D+01  0.330568D+01  0.136687D+01  0.260958D+01
                31            32            33            34            35 
      1   0.111493D+01  0.125388D+01  0.147063D+01  0.469949D+01  0.193074D+01
      2   0.125388D+01  0.513874D+00  0.144361D+01  0.193074D+01  0.214909D+01
      3   0.147063D+01  0.144361D+01  0.116009D+01  0.209846D+01  0.541057D+00
                36            37            38            39            40 
      1   0.209846D+01  0.546889D+01  0.187943D+01 -0.861843D+00  0.267244D+01
      2   0.541057D+00  0.187943D+01  0.660408D+00 -0.100702D+01  0.404501D+00
      3   0.150249D+00 -0.861843D+00 -0.100702D+01  0.113230D+01 -0.126306D+01
                41            42            43            44            45 
      1   0.404501D+00 -0.126306D+01  0.404499D+00 -0.490876D+00 -0.857693D+00
      2   0.112265D+01  0.105064D+01 -0.490876D+00  0.185257D+01  0.219631D+00
      3   0.105064D+01  0.862906D+00 -0.857693D+00  0.219631D+00  0.507562D+01
                46            47            48            49            50 
      1  -0.492052D-01  0.351075D+01 -0.245581D+01  0.410465D+01 -0.122561D+01
      2   0.351075D+01 -0.476925D+00  0.497589D+00 -0.122561D+01 -0.525920D+01
      3  -0.245581D+01  0.497589D+00 -0.226001D+01  0.635808D+00 -0.136687D+01
                51            52            53            54            55 
      1   0.635808D+00 -0.383857D+01  0.353824D+00 -0.314917D+01  0.283891D+01
      2  -0.136687D+01  0.353824D+00 -0.138337D+01  0.152426D+01 -0.254505D+01
      3   0.176978D+01 -0.314917D+01  0.152426D+01  0.530151D+01  0.121886D+01
                56            57            58            59            60 
      1  -0.254505D+01  0.121886D+01 -0.867207D+00  0.242839D+01 -0.405379D+00
      2   0.209102D+01 -0.631789D+00  0.242839D+01  0.431226D+01  0.100977D+01
      3  -0.631789D+00  0.245311D+01 -0.405379D+00  0.100977D+01 -0.100285D+01
                61            62            63            64            65 
      1   0.175274D+01 -0.799206D+00  0.278224D+01 -0.706321D+01 -0.255269D+01
      2  -0.799206D+00  0.102601D+01 -0.839817D+00 -0.255269D+01 -0.258700D+01
      3   0.278224D+01 -0.839817D+00 -0.326843D+01 -0.414115D+01 -0.105149D+01
                66            67            68            69            70 
      1  -0.414115D+01 -0.294313D+01 -0.227565D+01 -0.108337D+01 -0.548983D+01
      2  -0.105149D+01 -0.227565D+01 -0.304444D+01 -0.276502D+01 -0.174169D+01
      3  -0.350301D+01 -0.108337D+01 -0.276502D+01 -0.194183D+01 -0.378237D+01
                71            72            73            74            75 
      1  -0.174169D+01 -0.378237D+01  0.627218D+00 -0.533706D+00 -0.845735D+00
      2  -0.349739D+01 -0.197032D+01 -0.533706D+00  0.392838D+00  0.162161D-01
      3  -0.197032D+01 -0.699487D+01 -0.845735D+00  0.162161D-01  0.915875D+00
                76            77            78            79            80 
      1  -0.647115D+00  0.206312D+00  0.312170D-01 -0.149574D+01  0.158866D+00
      2   0.206312D+00  0.372459D+00 -0.945981D+00  0.158866D+00 -0.146624D+01
      3   0.312170D-01 -0.945981D+00 -0.377336D+00  0.412180D+00  0.249763D-01
                81            82            83            84            85 
      1   0.412180D+00 -0.635791D+00  0.844954D+00  0.871351D+00  0.982691D+00
      2   0.249763D-01  0.844954D+00 -0.398164D+00 -0.360050D-01 -0.230121D+00
      3  -0.703034D+01  0.871351D+00 -0.360050D-01 -0.480662D+00 -0.827890D-02
                86            87            88            89            90 
      1  -0.230121D+00 -0.827890D-02  0.157168D+01 -0.101455D+00 -0.364378D+00
      2  -0.124951D+00  0.108466D+01 -0.101455D+00  0.177978D+01  0.810736D+00
      3   0.108466D+01  0.957057D+00 -0.364378D+00  0.810736D+00  0.784915D+01
                91            92            93            94            95 
      1  -0.750966D+01 -0.181768D+01  0.296483D+01 -0.256492D+01 -0.148457D+01
      2  -0.181768D+01 -0.147102D+01  0.738120D+00 -0.148457D+01 -0.102512D+01
      3   0.296483D+01  0.738120D+00 -0.256550D+01  0.112202D+01  0.853712D+00
                96            97            98            99           100 
      1   0.112202D+01  0.987005D+00  0.223457D+00 -0.101356D+01 -0.233040D+01
      2   0.853712D+00  0.223457D+00  0.440255D+00 -0.309782D+00  0.257742D+01
      3  -0.109834D+01 -0.101356D+01 -0.309782D+00  0.151240D+01 -0.111626D+01
               101           102           103           104           105 
      1   0.257742D+01 -0.111626D+01  0.243916D+01 -0.230515D+01  0.923938D+00
      2  -0.345091D+01  0.119198D+01 -0.230515D+01  0.444471D+01 -0.124693D+01
      3   0.119198D+01 -0.129301D+01  0.923938D+00 -0.124693D+01  0.124040D+01
               106           107           108           109           110 
      1  -0.214299D+01  0.157642D+01 -0.136898D+01 -0.329327D+00  0.717879D+00
      2   0.157642D+01 -0.290415D+01  0.170586D+01  0.717879D+00 -0.627038D+00
      3  -0.136898D+01  0.170586D+01 -0.177234D+01  0.364971D+00 -0.545202D+00
               111           112           113           114           115 
      1   0.364971D+00  0.614900D+00 -0.264239D+00 -0.453982D+00  0.156197D+01
      2  -0.545202D+00 -0.264239D+00  0.124868D+01  0.765754D+00 -0.597307D+00
      3  -0.926804D+00 -0.453982D+00  0.765754D+00  0.943277D+00 -0.118035D+01
               116           117           118           119           120 
      1  -0.597307D+00 -0.118035D+01  0.701315D+01 -0.163028D+01  0.231232D+01
      2   0.269284D+01  0.193158D+01 -0.163028D+01  0.134463D+01 -0.527734D+00
      3   0.193158D+01  0.520605D+01  0.231232D+01 -0.527734D+00  0.190982D+01
               121           122           123           124           125 
      1  -0.341851D+01  0.160757D+01 -0.815111D+00  0.406899D+01 -0.640990D+00
      2   0.160757D+01 -0.891592D+00  0.855764D+00 -0.640990D+00  0.119019D+01
      3  -0.815111D+00  0.855764D+00 -0.110865D+01  0.235438D+01 -0.762592D+00
               126           127           128           129           130 
      1   0.235438D+01  0.135910D+01 -0.354142D+00 -0.991355D+00 -0.105852D+01
      2  -0.762592D+00 -0.354142D+00  0.268713D+00  0.190518D-01  0.527783D+00
      3   0.161579D+01 -0.991355D+00  0.190518D-01  0.117039D+01  0.261148D+00
               131           132           133           134           135 
      1   0.527783D+00  0.261148D+00 -0.279182D+01 -0.754371D-01  0.262605D+01
      2   0.522809D-01 -0.778982D+00 -0.754371D-01 -0.140765D+01 -0.351546D+00
      3  -0.778982D+00 -0.100257D+01  0.262605D+01 -0.351546D+00 -0.688199D+01
               136           137           138           139           140 
      1   0.270602D+00  0.107994D+01  0.363967D+00  0.267764D+01  0.180471D+01
      2   0.107994D+01  0.998067D+00  0.457473D-01  0.180471D+01  0.762801D+01
      3   0.363967D+00  0.457473D-01  0.350762D+00  0.623333D-01  0.638811D+00
               141           142           143           144           145 
      1   0.623333D-01  0.789996D+00  0.169489D+00  0.709553D+00  0.432969D+01
      2   0.638811D+00  0.169489D+00  0.887584D+00  0.805569D+00 -0.303178D+01
      3   0.108707D+01  0.709553D+00  0.805569D+00 -0.555656D-01  0.172731D+01
               146           147           148           149           150 
      1  -0.303178D+01  0.172731D+01 -0.229894D+01  0.227456D+01 -0.791894D+00
      2   0.349803D+01 -0.106904D+01  0.227456D+01 -0.333444D+01  0.130542D+01
      3  -0.106904D+01  0.160496D+01 -0.791894D+00  0.130542D+01 -0.119434D+01
               151           152           153           154           155 
      1   0.222142D+01 -0.124364D+01  0.146480D+01 -0.519161D+01 -0.211996D+01
      2  -0.124364D+01  0.230365D+01 -0.165526D+01 -0.211996D+01 -0.329281D+01
      3   0.146480D+01 -0.165526D+01  0.135370D+01  0.130366D+01  0.678065D+00
               156           157           158           159           160 
      1   0.130366D+01 -0.187703D+01 -0.175174D+01  0.485167D+00  0.171007D+01
      2   0.678065D+00 -0.175174D+01 -0.244590D+01  0.808736D+00  0.557433D+00
      3  -0.113061D+01  0.485167D+00  0.808736D+00 -0.929170D+00 -0.820792D+00
               161           162           163           164           165 
      1   0.557433D+00 -0.820792D+00  0.200189D+00 -0.840457D+00 -0.560941D+00
      2   0.147898D+01 -0.115242D+01 -0.840457D+00  0.360899D+00  0.122777D+00
      3  -0.115242D+01  0.587841D+00 -0.560941D+00  0.122777D+00  0.505367D+00
               166           167           168           169           170 
      1  -0.576059D+00  0.206259D+00  0.485799D-01 -0.127741D+01  0.293621D+00
      2   0.206259D+00 -0.105941D+01 -0.109023D+01  0.293621D+00 -0.287522D+01
      3   0.485799D-01 -0.109023D+01 -0.119854D+01  0.650592D+00 -0.239468D+01
               171 
      1   0.650592D+00
      2  -0.239468D+01
      3  -0.639223D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.673169D+01  0.784868D+00 -0.165281D+01  0.382894D+00 -0.499852D+01
      2  -0.370521D+01  0.112264D+01  0.812844D+00  0.560755D+00 -0.935719D+00
      3  -0.868118D+01 -0.135080D+02  0.653855D+01 -0.737293D+01  0.486643D+01
                 6             7             8             9            10 
      1   0.281344D+01 -0.257445D+01  0.950564D+01  0.105810D+02 -0.331486D+00
      2   0.252630D+01 -0.337687D+01  0.338913D+01  0.606104D+01  0.284703D+01
      3   0.699546D+00  0.710265D+01  0.273436D+00 -0.133933D+01  0.669502D+01
                11            12            13            14            15 
      1  -0.145564D+00  0.340083D+00 -0.103038D+01  0.224491D+01 -0.292683D+01
      2  -0.942942D-01  0.459080D+01 -0.790773D+00  0.610388D+00 -0.194971D+01
      3  -0.310641D+01  0.910313D-01  0.290123D+01 -0.544401D+01 -0.112948D+01
                16            17            18            19            20 
      1   0.756017D+00  0.349936D+01 -0.235322D+01 -0.132790D+01 -0.185302D+01
      2  -0.182765D+01 -0.247440D+01 -0.100113D+02  0.345689D+01 -0.228542D+00
      3   0.162231D+01 -0.185067D+01  0.228888D+01 -0.168826D+01 -0.318587D+01
                21            22            23            24            25 
      1  -0.299850D+00 -0.148823D+01  0.259006D+01  0.469863D+00  0.921310D+00
      2   0.398810D+00  0.173332D+01 -0.263629D+00  0.165093D+00 -0.624012D+01
      3  -0.110321D+00 -0.578805D+00 -0.472231D+01  0.192252D+01 -0.294612D+01
                26            27            28            29            30 
      1   0.489061D+01 -0.270458D+01 -0.218157D+01 -0.329082D+01  0.390259D+01
      2  -0.444810D-01 -0.764976D+00 -0.331033D+01 -0.201090D+00 -0.934321D+00
      3   0.167627D+01 -0.848559D+00 -0.834383D+01  0.547306D+01  0.939105D+00
                31            32            33            34            35 
      1   0.160728D+01 -0.159117D+01 -0.938850D+01  0.134219D+01 -0.588386D+01
      2   0.311375D+01 -0.176737D+01 -0.647571D+01  0.288637D+00 -0.269254D+01
      3   0.193566D+02  0.130337D+02 -0.695993D+00 -0.890670D+00 -0.237171D+01
                36            37            38            39            40 
      1   0.389493D+01  0.174910D+01 -0.281804D+00  0.590893D-01  0.173853D+00
      2  -0.287936D+01 -0.324436D+01  0.143968D+00  0.283843D-01 -0.664780D+00
      3   0.778942D+00  0.350205D+01 -0.533586D+00 -0.159482D+01  0.425169D+00
                41            42            43            44            45 
      1   0.924904D+00 -0.325572D+00 -0.136248D+00  0.581373D+01  0.481145D+00
      2  -0.341681D+01 -0.903322D+00 -0.683545D+01 -0.143988D+01 -0.868535D+01
      3   0.756608D+00  0.327901D+01  0.695466D-01  0.360292D+01  0.907849D+00
                46            47            48            49            50 
      1   0.107913D+01  0.512809D+00  0.570424D+00  0.135225D+01  0.193341D+01
      2  -0.901392D+01  0.141713D+01 -0.535027D+01  0.247278D+01 -0.413180D+01
      3  -0.919370D+01  0.119158D+01 -0.232103D+01  0.921461D+01  0.169535D+02
                51            52            53            54            55 
      1  -0.247231D+01  0.138624D+01  0.133432D+01 -0.258581D+01 -0.152434D+01
      2   0.467100D+01 -0.129869D+02  0.392362D+01  0.146428D+02  0.887403D+00
      3   0.364817D+01 -0.364473D+01  0.418259D+01 -0.596049D+01  0.750778D+01
                56            57            58            59            60 
      1   0.319233D+01 -0.732916D+01  0.254339D+01 -0.389098D+01 -0.255034D+01
      2   0.175300D+01  0.431359D+01  0.304150D-01  0.407444D+00  0.134492D+01
      3  -0.122801D+02  0.163706D+01  0.234874D+01  0.561688D+01 -0.263909D+01
                61            62            63            64            65 
      1  -0.729769D+01  0.745580D+01  0.797830D+01  0.227645D+01  0.609678D+01
      2  -0.160296D+01  0.524620D+00 -0.105095D+01 -0.198798D+00 -0.365664D-01
      3   0.354662D+01 -0.222745D+01  0.680711D+01  0.252204D+01 -0.727388D+01
                66            67            68            69            70 
      1  -0.294596D+01 -0.217945D+00  0.264925D+01 -0.128035D+01  0.624027D+00
      2   0.926193D+01 -0.354298D+01  0.399435D+01  0.544091D+01 -0.255592D+01
      3  -0.709489D+00 -0.283881D+01 -0.825673D+01 -0.261577D+01  0.272295D+00
                71            72            73            74            75 
      1   0.815750D+01 -0.217865D+01  0.972814D+00 -0.373337D+00 -0.340368D+00
      2   0.291909D+01  0.117228D+02  0.669945D+00 -0.609961D+00  0.909508D+00
      3  -0.225585D+01 -0.222269D+01  0.630306D+00 -0.742013D+00 -0.496638D+00
                76            77            78            79            80 
      1   0.501103D-01  0.390290D+00 -0.375952D+00 -0.550438D+00  0.350338D+01
      2  -0.850121D+00  0.257791D+00 -0.664757D-01 -0.391472D+01  0.302749D+00
      3   0.118750D+01 -0.634107D-02 -0.141527D+00 -0.494872D+00  0.158008D+00
                81            82            83            84            85 
      1   0.323458D+01  0.992727D+00 -0.644087D+00 -0.102334D+00 -0.190332D+00
      2   0.787651D+00  0.219798D+01 -0.598557D+00 -0.367682D+00 -0.110940D+01
      3  -0.113407D+00 -0.905958D+00 -0.728473D+00 -0.264174D+00  0.132025D+01
                86            87            88            89            90 
      1   0.652667D+00 -0.450025D+00 -0.601309D+00  0.410188D+01  0.209620D+01
      2   0.173469D+01  0.109874D+01 -0.481005D+01  0.138997D+01  0.966613D+01
      3   0.728494D-01 -0.111210D+01 -0.111681D+00 -0.175911D+01 -0.609607D+00
                91            92            93            94            95 
      1  -0.117978D+01 -0.188275D+01 -0.417057D+00 -0.107320D+01 -0.142849D+01
      2   0.221295D+01  0.301784D+00  0.385680D+01  0.741535D+00 -0.279425D+00
      3  -0.165565D+01 -0.418937D+01  0.949434D+00 -0.146652D+01 -0.276159D+01
                96            97            98            99           100 
      1  -0.274714D+00  0.739895D+00  0.793639D+00 -0.459922D+00  0.244770D+01
      2   0.176188D+01 -0.705060D+00 -0.447668D-01 -0.633953D+00 -0.145608D+01
      3   0.887146D+00  0.625034D+00  0.865430D+00 -0.501605D+00 -0.678063D+01
               101           102           103           104           105 
      1  -0.246459D+01  0.416584D+01 -0.245146D+01  0.205667D+01 -0.351420D+01
      2  -0.152732D+00  0.866974D+00  0.234387D+00  0.648456D-01 -0.737958D+00
      3   0.419329D+01 -0.276172D+01  0.763486D+01 -0.486676D+01  0.261111D+01
               106           107           108           109           110 
      1   0.335335D+01 -0.209375D+01  0.369914D+01 -0.113759D+01  0.975733D+00
      2  -0.124843D+01 -0.265651D+00  0.480381D+00  0.757557D+00  0.112425D+00
      3  -0.613886D+01  0.337139D+01 -0.363540D+01 -0.100912D+01  0.515464D+00
               111           112           113           114           115 
      1   0.324986D+01  0.990318D+00 -0.241578D+01 -0.260666D+01  0.343740D+01
      2  -0.111255D+00  0.231905D+00 -0.365764D-02 -0.147798D+00 -0.274662D+01
      3   0.683321D+00  0.168673D+01 -0.101740D+01 -0.116498D+01  0.420248D+01
               116           117           118           119           120 
      1  -0.278237D+01 -0.133154D+02 -0.563935D+00  0.648615D+00 -0.930578D-02
      2   0.712852D-01  0.510293D+00  0.617801D+01 -0.182993D+01  0.785524D+01
      3  -0.124947D+01 -0.348439D+01  0.658227D+01 -0.683667D+01  0.274204D+01
               121           122           123           124           125 
      1  -0.643832D-01 -0.704194D+00 -0.554467D+00 -0.327766D+00  0.165766D+01
      2  -0.207687D+01  0.242790D+01 -0.430735D+01  0.511005D+01 -0.246610D+01
      3  -0.414122D+01  0.413811D+01 -0.260254D+01  0.303444D+01 -0.474506D+01
               126           127           128           129           130 
      1  -0.465309D-01  0.582259D+00 -0.296252D+00 -0.719621D+00  0.608820D-01
      2   0.523670D+01 -0.257608D+01 -0.452913D-01  0.456382D+01  0.343317D-01
      3   0.310545D+01  0.148756D+01 -0.182612D+01 -0.569690D+00 -0.627185D+00
               131           132           133           134           135 
      1   0.688473D+00 -0.325881D+00 -0.904275D+00  0.336694D+01  0.291374D+01
      2  -0.197355D+01 -0.282677D+01  0.354489D+01 -0.129918D+01 -0.198256D+02
      3   0.122503D+00  0.173749D+01 -0.564965D+00  0.462619D+01  0.248592D+01
               136           137           138           139           140 
      1  -0.195829D+00 -0.312888D+00 -0.545871D+00 -0.148854D+00 -0.826728D+00
      2   0.121340D+01 -0.463536D-01  0.124638D+01 -0.116226D+00  0.205907D+01
      3  -0.344048D+01 -0.193680D+01  0.694340D-01  0.100566D+01 -0.225988D+02
               141           142           143           144           145 
      1  -0.286769D+01 -0.648717D+00  0.465182D+00 -0.826523D-04  0.333887D+01
      2   0.376886D+01  0.359219D+00  0.207640D+01 -0.329735D+00  0.100646D+01
      3  -0.192826D+01  0.427732D+00 -0.250978D+01 -0.137023D+01 -0.628337D+01
               146           147           148           149           150 
      1  -0.110991D+01  0.451994D+01 -0.156630D+01  0.205827D+01 -0.365808D+01
      2  -0.110905D+01  0.353738D+01 -0.401269D+00  0.133897D+01 -0.214564D+01
      3  -0.645418D+00 -0.242840D+01  0.434690D+01 -0.317946D+00  0.369102D+00
               151           152           153           154           155 
      1   0.285563D+01 -0.145998D+01  0.276905D+01  0.276644D+01  0.427591D+00
      2   0.211264D+00 -0.191862D+01  0.191927D+01  0.281085D+01  0.617394D+00
      3  -0.417537D+01 -0.942060D+00 -0.856258D+00  0.165597D+02  0.524845D+01
               156           157           158           159           160 
      1  -0.347306D+01  0.679740D+00  0.113098D+01 -0.275660D+01 -0.207904D+01
      2   0.322449D+00  0.640498D+00  0.997852D+00 -0.118400D-01 -0.252453D+01
      3  -0.373979D+01  0.768527D+01  0.532419D+01 -0.192776D+01 -0.488327D+01
               161           162           163           164           165 
      1  -0.785145D+00  0.105412D+01 -0.103139D+01  0.162824D-01  0.102758D+01
      2  -0.923430D+00  0.316569D+00 -0.555308D+00  0.140106D+00  0.119811D+01
      3  -0.191754D+01  0.283976D+01  0.986931D+00  0.279462D+00  0.690140D+00
               166           167           168           169           170 
      1   0.211971D+00 -0.212011D+01 -0.395463D+01  0.121235D+01 -0.164907D+01
      2  -0.241252D+00 -0.112135D+01 -0.120513D+01 -0.223464D+01 -0.253671D+01
      3   0.200779D+01  0.616068D+00  0.982160D+00  0.294744D+01  0.307244D+01
               171 
      1  -0.144021D+02
      2  -0.734117D+01
      3   0.172807D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.995971D+01  0.108034D+02 -0.746390D+01  0.838574D+01 -0.108720D+02
      2  -0.164202D+02 -0.431067D+01  0.305411D+01 -0.262276D+01  0.146946D+02
      3   0.646047D+01 -0.649270D+01  0.440978D+01 -0.576298D+01 -0.382263D+01
      4   0.728152D+01 -0.191036D+02  0.126002D+02 -0.169436D+02 -0.208454D+01
      5  -0.707238D+01  0.583507D+01 -0.424453D+01  0.390990D+01 -0.319921D+01
      6   0.153375D+02 -0.173938D+01  0.390232D+01 -0.172749D+01  0.749918D+01
                 6             7             8             9            10 
      1  -0.665990D+00 -0.783751D+01  0.327506D+00  0.439972D+01 -0.110097D+02
      2   0.497591D+01  0.187888D+01  0.615278D+01 -0.476521D+01  0.823296D+01
      3  -0.430992D+01  0.595863D+01 -0.648029D+01  0.365483D+00  0.277673D+01
      4  -0.377165D+01  0.121042D+02 -0.568857D+01  0.955393D+01 -0.118995D+02
      5   0.550902D+01 -0.565763D+01  0.737816D+01  0.119081D+02  0.503571D+01
      6  -0.858501D+01  0.490517D+01 -0.124813D+02 -0.187569D+02 -0.234241D+01
                11            12            13            14            15 
      1  -0.126313D+02  0.344584D+01 -0.152907D+02  0.972044D+01  0.164248D+01
      2   0.672009D+01 -0.382257D+01  0.917619D+01 -0.109500D+02  0.101664D+00
      3   0.591117D+01  0.376723D+00  0.611447D+01  0.122951D+01 -0.174414D+01
      4   0.480791D+01 -0.113329D+01  0.540988D+01  0.774891D+01  0.155599D+01
      5  -0.213465D+00  0.289543D+01 -0.196686D+00  0.154047D+01 -0.452519D+01
      6   0.495690D+00 -0.121478D+01  0.778108D+00 -0.204780D+01  0.241394D+00
                16            17            18            19            20 
      1   0.828109D+01  0.224035D+01  0.898821D+01 -0.119372D+02 -0.507108D+01
      2  -0.421455D+01  0.133117D+00  0.514800D+01  0.125589D+02  0.859448D+01
      3  -0.406654D+01 -0.237347D+01 -0.141362D+02 -0.621652D+00 -0.352340D+01
      4  -0.140075D+01  0.195731D+01 -0.443014D+01  0.147883D+01  0.303310D+01
      5   0.820118D+01 -0.376844D+01 -0.181772D+02  0.612672D+01  0.101895D+01
      6  -0.682540D+00  0.486508D+01  0.241511D+00  0.165717D+01 -0.165462D+00
                21            22            23            24            25 
      1   0.219348D+01  0.684913D+01  0.990931D+01  0.483855D+01 -0.311779D+01
      2  -0.267289D+01 -0.605698D+01 -0.183821D+02 -0.237144D+01 -0.767250D+00
      3   0.479409D+00 -0.792153D+00  0.847279D+01 -0.246711D+01  0.388504D+01
      4   0.235651D+01 -0.995338D+01 -0.362341D+00  0.174065D+01  0.852330D+00
      5   0.216768D+00  0.317237D+01  0.401962D+01  0.233081D+00  0.669116D+00
      6   0.497660D+00  0.190024D+01 -0.504007D+00 -0.253485D+01 -0.870404D-01
                26            27            28            29            30 
      1   0.401821D+01  0.598801D+01 -0.806847D+01 -0.909503D-01 -0.704312D+01
      2  -0.498628D+01  0.795938D+01  0.926767D+01 -0.157300D+00  0.577081D+01
      3   0.968067D+00 -0.139474D+02 -0.119920D+01  0.248250D+00  0.127232D+01
      4  -0.282409D+01  0.307487D+00 -0.541881D+01 -0.523374D+01 -0.638772D+01
      5   0.669992D+00  0.237952D+01 -0.172587D+02 -0.741997D+01 -0.193159D+02
      6   0.201499D+01  0.573427D+01 -0.493924D+01 -0.338242D+01 -0.570120D+01
                31            32            33            34            35 
      1  -0.480780D+01 -0.454752D+01 -0.361596D+01 -0.205811D+02 -0.844022D+01
      2   0.169516D+01  0.703163D+01  0.518495D+01  0.877320D+01  0.444578D+00
      3   0.311264D+01 -0.248412D+01 -0.156899D+01  0.118079D+02  0.799564D+01
      4   0.316211D+01 -0.936273D+01 -0.241789D+01 -0.132593D+02 -0.530259D+01
      5  -0.104863D+02 -0.590331D+01 -0.107276D+02 -0.191701D+02 -0.283008D+01
      6  -0.149250D+01 -0.543839D+01  0.498983D+00 -0.395037D+00 -0.859596D+01
                36            37            38            39            40 
      1  -0.214749D+01 -0.175420D+02 -0.763711D+01  0.420037D+01 -0.120291D+02
      2   0.751780D+01  0.753946D+01  0.330267D+01 -0.941514D+00  0.732995D+01
      3  -0.537030D+01  0.100026D+02  0.433445D+01 -0.325885D+01  0.469915D+01
      4  -0.243654D+01 -0.116229D+02 -0.345278D+00  0.571171D+01 -0.146990D+00
      5  -0.481287D+01  0.102633D+02  0.773284D+01  0.100618D+01  0.916094D+01
      6  -0.284000D+01  0.549461D+01  0.956918D+00 -0.215151D+01  0.186357D+01
                41            42            43            44            45 
      1  -0.577564D+01  0.519683D+01  0.201312D+01  0.154692D+01 -0.122710D+02
      2   0.485412D+01 -0.455218D+01  0.371247D+01  0.191688D+01 -0.114733D+02
      3   0.921518D+00 -0.644652D+00 -0.572559D+01 -0.346380D+01  0.237443D+02
      4  -0.377096D+01 -0.458962D+01  0.512687D+01 -0.370948D+01 -0.380139D+01
      5  -0.326237D+01 -0.427248D+01  0.110976D+02 -0.280014D+01 -0.213657D+02
      6   0.159105D+01  0.576579D+01 -0.255909D+01  0.876025D+01 -0.149915D+01
                46            47            48            49            50 
      1  -0.805803D+00  0.210769D+02 -0.165954D+02  0.243918D+02 -0.368734D+01
      2   0.136003D+01 -0.126663D+02  0.782226D+01 -0.161481D+02 -0.347222D+01
      3  -0.554226D+00 -0.841057D+01  0.877310D+01 -0.824372D+01  0.715956D+01
      4   0.212858D+02 -0.224128D+01  0.240089D+01 -0.660694D+01 -0.246986D+02
      5  -0.185421D+02  0.314768D+01 -0.129146D+02  0.435163D+01 -0.889505D+01
      6  -0.214898D+00 -0.260034D+00  0.193930D+00 -0.146947D+01 -0.224915D+01
                51            52            53            54            55 
      1   0.583920D+01 -0.216973D+02  0.365736D+01 -0.120155D+02  0.167716D+02
      2  -0.306128D+01  0.852614D+01 -0.197665D+01  0.138246D+02 -0.152318D+02
      3  -0.277792D+01  0.131712D+02 -0.168071D+01 -0.180916D+01 -0.153983D+01
      4  -0.694067D+01  0.330807D+01 -0.568721D+01  0.815862D+01  0.857667D+01
      5   0.102155D+02 -0.196435D+02  0.886806D+01  0.277361D+02 -0.237587D+01
      6   0.124135D+01  0.332293D+00 -0.681875D+00  0.147659D+01  0.525812D+01
                56            57            58            59            60 
      1  -0.337013D+01 -0.351913D-01 -0.643276D+01 -0.182230D+02 -0.368172D+01
      2   0.674792D+01 -0.224577D+01  0.123732D+02  0.307543D+02  0.463716D+01
      3  -0.337779D+01  0.228096D+01 -0.594040D+01 -0.125313D+02 -0.955440D+00
      4  -0.546257D+01  0.384355D+01  0.217741D+01  0.120322D+02 -0.398407D+01
      5   0.226750D+01  0.116138D+01 -0.855332D-01 -0.328079D+01  0.188478D+01
      6  -0.436714D+01  0.115115D+02 -0.495101D+01  0.529271D+01  0.165248D+01
                61            62            63            64            65 
      1   0.182812D+01 -0.606564D+00  0.172494D+01  0.381996D+02  0.864189D+01
      2  -0.249258D+01  0.518215D+01 -0.176219D+01 -0.248775D+02 -0.413855D+01
      3   0.664464D+00 -0.457558D+01  0.372487D-01 -0.133220D+02 -0.450334D+01
      4   0.454775D+01 -0.335450D+01  0.101328D+02  0.135074D+02  0.148604D+02
      5   0.219352D+01  0.368452D+01  0.273011D+00  0.276597D+02  0.665685D+01
      6   0.136357D+02 -0.991842D+00 -0.130693D+02  0.509506D+01  0.627395D+01
                66            67            68            69            70 
      1   0.127571D+02  0.532165D+01  0.457129D+00 -0.836438D+00  0.180981D+02
      2  -0.117503D+02 -0.541648D+00  0.574623D+01  0.261973D+00 -0.161979D+02
      3  -0.100687D+01 -0.478001D+01 -0.620336D+01  0.574465D+00 -0.190017D+01
      4   0.655277D+01  0.168435D+02  0.172894D+02  0.111161D+02  0.915212D+01
      5   0.282106D+02  0.816627D+01  0.128730D+02  0.112189D+02  0.283222D+02
      6   0.513882D+01  0.470596D+01  0.896851D+01  0.116147D+02  0.530275D+01
                71            72            73            74            75 
      1   0.301644D+01  0.896892D+00  0.104062D+01 -0.899907D-01  0.804504D-01
      2  -0.326839D+01 -0.148879D+02 -0.400244D+01  0.200875D-01  0.137921D+01
      3   0.251940D+00  0.139910D+02  0.296183D+01  0.699032D-01 -0.145966D+01
      4   0.106513D+02  0.746015D+01  0.544863D+00  0.139638D+01 -0.122305D+01
      5   0.955568D+01  0.347660D+02 -0.224451D+01 -0.326986D+00  0.606225D+01
      6   0.121283D+02  0.900724D+01 -0.118479D+01 -0.748533D+00  0.777007D+00
                76            77            78            79            80 
      1   0.130400D+00 -0.392844D+01 -0.543065D+00  0.295236D+00  0.143907D+01
      2   0.119295D+00  0.135713D+01 -0.147444D+01  0.184772D+01 -0.215105D+01
      3  -0.249695D+00  0.257131D+01  0.201750D+01 -0.214296D+01  0.711982D+00
      4   0.192453D+01 -0.338095D+00 -0.615400D+00 -0.630091D+00 -0.359350D-01
      5  -0.698115D-01 -0.994543D+00 -0.636325D+00  0.447308D+01  0.240514D+00
      6  -0.586972D+00 -0.245353D+00  0.550090D+01  0.751843D-01  0.411595D+01
                81            82            83            84            85 
      1  -0.147795D+02  0.146929D+01  0.224670D+01  0.259828D+01  0.288218D+01
      2  -0.136858D+02 -0.396860D+01 -0.856426D+00  0.135721D+00 -0.165818D+01
      3   0.284654D+02  0.249930D+01 -0.139027D+01 -0.273400D+01 -0.122400D+01
      4   0.666942D+00  0.210470D+01  0.684740D+00  0.131932D+00  0.119181D+01
      5  -0.297752D+01  0.738909D+00  0.227486D+00  0.456338D+01  0.121572D+00
      6  -0.682540D+01  0.872628D-01 -0.417599D+00 -0.429459D+00 -0.197991D+00
                86            87            88            89            90 
      1  -0.460047D+01 -0.143176D+01  0.459697D+01 -0.612954D+00 -0.159297D+02
      2   0.154463D+01 -0.118919D+01 -0.169923D+01 -0.235733D+01 -0.142086D+02
      3   0.305584D+01  0.262096D+01 -0.289774D+01  0.297028D+01  0.301384D+02
      4  -0.429439D+00  0.206993D+01  0.429478D+00  0.316964D+01  0.224462D+01
      5   0.226052D+01  0.193020D+01  0.310544D+01  0.167725D+01  0.164646D+02
      6   0.187664D+01  0.651751D+01  0.468896D-01  0.407405D+01  0.269778D+00
                91            92            93            94            95 
      1   0.357237D+02  0.771031D+01 -0.115787D+02  0.952941D+01  0.449782D+01
      2  -0.204652D+02 -0.390549D+01  0.865560D+01 -0.431060D+01 -0.873568D+00
      3  -0.152584D+02 -0.380482D+01  0.292308D+01 -0.521881D+01 -0.362425D+01
      4   0.105271D+02  0.769241D+01 -0.424061D+01  0.100713D+02  0.596333D+01
      5  -0.232155D+02 -0.575896D+01  0.152569D+02 -0.837393D+01 -0.539692D+01
      6  -0.516980D+01 -0.335511D+01  0.299512D+01 -0.400590D+01 -0.288522D+01
                96            97            98            99           100 
      1  -0.364334D+01 -0.138912D+01 -0.322050D-01  0.228510D+01 -0.182318D+01
      2   0.270163D+01  0.357771D+01  0.876114D+00 -0.408894D+01  0.761506D+01
      3   0.941706D+00 -0.218859D+01 -0.843909D+00  0.180384D+01 -0.579189D+01
      4  -0.424572D+01 -0.950438D+00 -0.111495D+01  0.149161D+01 -0.114310D+02
      5   0.594854D+01  0.752390D+01  0.195336D+01 -0.770476D+01  0.337994D+01
      6   0.331161D+01  0.128780D+01  0.154292D+01 -0.166953D+01 -0.655489D+01
               101           102           103           104           105 
      1   0.716876D+01 -0.209957D+01  0.417370D+01 -0.106582D+02  0.316912D+01
      2  -0.145658D+02  0.396426D+01 -0.949477D+01  0.198264D+02 -0.566924D+01
      3   0.739700D+01 -0.186469D+01  0.532107D+01 -0.916822D+01  0.250012D+01
      4   0.153007D+02 -0.587528D+01  0.135182D+02 -0.124170D+02  0.509496D+01
      5  -0.311115D+01  0.380099D+01 -0.147593D+01  0.279142D+01 -0.171624D+01
      6   0.830453D+01 -0.761405D+01  0.624574D+01 -0.845751D+01  0.764128D+01
               106           107           108           109           110 
      1  -0.320980D+01  0.644237D+01 -0.528151D+01 -0.147553D+01  0.186546D+01
      2   0.454970D+01 -0.927261D+01  0.424142D+01  0.197362D+01 -0.247920D+01
      3  -0.133990D+01  0.283023D+01  0.104009D+01 -0.498093D+00  0.613744D+00
      4  -0.880344D+01  0.782812D+01 -0.648574D+01 -0.135465D+01  0.436763D+01
      5   0.386354D+01 -0.305799D+01  0.335205D+01 -0.127904D+01  0.689815D+00
      6  -0.757562D+01  0.108431D+02 -0.924633D+01  0.112323D+01 -0.351552D+01
               111           112           113           114           115 
      1   0.190693D+01  0.554103D+00 -0.411598D+01 -0.214163D+01  0.112060D+01
      2  -0.160431D+01 -0.100529D+01  0.571063D+01  0.312994D+01 -0.100777D+01
      3  -0.302612D+00  0.451190D+00 -0.159465D+01 -0.988312D+00 -0.112831D+00
      4   0.153027D+01  0.398458D+01 -0.164010D+01 -0.249121D+01  0.558237D+01
      5   0.242350D+01  0.333359D+00 -0.129735D+01 -0.101838D+01  0.244994D+01
      6  -0.497406D+01 -0.280343D+01  0.355587D+01  0.668249D+01 -0.568320D+01
               116           117           118           119           120 
      1  -0.781509D+01 -0.899424D+01  0.515468D+02 -0.106591D+02  0.154562D+02
      2   0.891663D+01  0.156897D+01 -0.282572D+02  0.546187D+01 -0.931839D+01
      3  -0.110154D+01  0.742527D+01 -0.232897D+02  0.519721D+01 -0.613785D+01
      4  -0.348840D+01 -0.435108D+01 -0.105560D+02  0.106008D+02 -0.343461D+01
      5  -0.180879D+01 -0.349568D+01  0.183371D+02 -0.411372D+01  0.154926D+02
      6   0.104310D+02  0.231979D+02 -0.199413D+00  0.612079D+00  0.120183D+00
               121           122           123           124           125 
      1  -0.211127D+02  0.743544D+01 -0.477639D+01  0.243449D+02 -0.348202D+01
      2   0.114202D+02 -0.180395D+01  0.295189D+01 -0.148770D+02  0.226505D+01
      3   0.969250D+01 -0.563149D+01  0.182450D+01 -0.946790D+01  0.121698D+01
      4   0.122114D+02 -0.747570D+01  0.549899D+01 -0.462113D+01  0.752990D+01
      5  -0.677520D+01  0.566213D+01 -0.803198D+01  0.185779D+02 -0.532225D+01
      6   0.137258D+01 -0.145057D+01  0.181385D+01 -0.632546D+00  0.222907D+01
               126           127           128           129           130 
      1   0.112390D+02  0.873431D+01 -0.245309D+01 -0.558386D+01 -0.581829D+01
      2  -0.103857D+02 -0.715699D+01  0.165684D+01  0.463583D+01  0.384676D+01
      3  -0.853281D+00 -0.157732D+01  0.796245D+00  0.948029D+00  0.197152D+01
      4  -0.463708D+01 -0.190589D+01  0.272570D+01  0.292976D-02  0.417755D+01
      5   0.128073D+02 -0.703195D+01  0.387157D+00  0.119668D+02  0.208329D+01
      6  -0.122213D+01  0.666052D-01 -0.172121D+00  0.790954D+00 -0.146871D+01
               131           132           133           134           135 
      1   0.270707D+00 -0.173004D+00 -0.133664D+02 -0.826345D+00  0.304595D+01
      2  -0.179484D+00 -0.125317D+01  0.117057D+02 -0.212854D+00 -0.169897D+02
      3  -0.912235D-01  0.142618D+01  0.166078D+01  0.103920D+01  0.139437D+02
      4   0.119028D+00 -0.448888D+01 -0.652290D+00 -0.777502D+01 -0.266358D+01
      5  -0.408151D+01 -0.552679D+01  0.201634D+02 -0.248411D+01 -0.399782D+02
      6   0.136870D+01  0.383444D+01  0.293284D+00  0.453081D+01 -0.182737D+01
               136           137           138           139           140 
      1   0.210237D+01  0.367306D+01  0.229648D+01  0.124750D+02 -0.945015D+00
      2   0.167123D+01  0.634653D+00 -0.109206D+01 -0.372986D+01  0.149578D+02
      3  -0.377360D+01 -0.430771D+01 -0.120442D+01 -0.874517D+01 -0.140128D+02
      4   0.495910D+01  0.996750D+01  0.563298D+00  0.156673D+02  0.392611D+02
      5   0.220724D+01  0.220448D+00  0.264959D+01  0.358140D+00  0.448899D+01
      6   0.310865D+00 -0.149613D+00  0.713972D+00  0.809912D+00  0.194003D+01
               141           142           143           144           145 
      1  -0.787059D+00  0.424948D+01 -0.803429D+00  0.810347D+00  0.131589D+02
      2   0.136555D+01 -0.191311D+01  0.121259D+01 -0.950207D+00  0.722790D+00
      3  -0.578492D+00 -0.233637D+01 -0.409161D+00  0.139860D+00 -0.138817D+02
      4   0.363079D+01  0.130731D+01  0.419343D+01  0.371783D+01 -0.255687D+02
      5   0.683104D+01  0.511958D+01  0.431229D+01 -0.493101D+00  0.881146D+01
      6   0.467458D+01  0.112289D+01  0.511765D+01  0.152744D+01 -0.889041D+01
               146           147           148           149           150 
      1  -0.215987D+01  0.300559D+01 -0.218786D+01 -0.300911D+01  0.156342D+01
      2  -0.954922D+01 -0.568637D-01 -0.658163D+01  0.145119D+02 -0.467757D+01
      3   0.117091D+02 -0.294873D+01  0.876949D+01 -0.115028D+02  0.311415D+01
      4   0.235078D+02 -0.974004D+01  0.180402D+02 -0.191269D+02  0.706982D+01
      5  -0.562117D+01  0.832073D+01 -0.372534D+01  0.544421D+01 -0.444025D+01
      6   0.705024D+01 -0.884454D+01  0.535586D+01 -0.850437D+01  0.807926D+01
               151           152           153           154           155 
      1   0.433430D+01  0.267198D+01 -0.930628D+00 -0.799014D+01 -0.133843D+02
      2  -0.640907D+00 -0.720301D+01  0.864043D+00  0.970866D+01  0.173508D+02
      3  -0.369339D+01  0.453104D+01  0.665852D-01 -0.171853D+01 -0.396648D+01
      4  -0.118109D+02  0.110707D+02 -0.941721D+01  0.150951D+02  0.770855D+01
      5   0.833255D+01 -0.650389D+01  0.697716D+01 -0.107072D+01 -0.130778D+01
      6  -0.759723D+01  0.101826D+02 -0.757160D+01 -0.680123D+01 -0.486467D+01
               156           157           158           159           160 
      1   0.441702D+01 -0.837298D+01 -0.105158D+02  0.334954D+01  0.438051D+01
      2  -0.321691D+01  0.106302D+02  0.155706D+02 -0.420653D+01 -0.250252D+01
      3  -0.120011D+01 -0.225721D+01 -0.505480D+01  0.856990D+00 -0.187798D+01
      4  -0.463736D+01  0.921217D+01  0.523281D+01 -0.138937D+01 -0.560605D+01
      5   0.156134D+01 -0.479258D+00 -0.208226D+00 -0.251643D+00  0.262789D+01
      6   0.637004D+01 -0.335608D+01 -0.509313D+01  0.585833D+01  0.427567D+01
               161           162           163           164           165 
      1   0.527404D+01 -0.533115D+01 -0.467126D+00 -0.161747D+01 -0.148264D+01
      2  -0.652158D+01  0.313002D+01  0.935749D+00  0.128458D+00  0.106598D+01
      3   0.124754D+01  0.220112D+01 -0.468623D+00  0.148902D+01  0.416655D+00
      4  -0.521987D+00  0.147355D+01 -0.258704D+01  0.551296D+01  0.228943D+01
      5  -0.681975D+00 -0.165064D+01 -0.211275D+01  0.100092D+01  0.488543D+01
      6   0.716665D+01 -0.350430D+01  0.186664D+01 -0.555793D+00 -0.208188D+01
               166           167           168           169           170 
      1  -0.651925D+00 -0.459905D+01 -0.417714D+01 -0.258109D+01 -0.888979D+01
      2  -0.419170D+00  0.547466D+01  0.489311D+01  0.150357D+01  0.997552D+01
      3   0.107110D+01 -0.875611D+00 -0.715968D+00  0.107751D+01 -0.108573D+01
      4   0.424954D+01 -0.292387D+01 -0.248609D+01  0.532380D+01 -0.689769D+01
      5   0.105143D-01 -0.256104D+01 -0.262417D+01  0.594114D+01 -0.606563D+01
      6  -0.615813D+00  0.609432D+01  0.101898D+02 -0.304881D+01  0.145287D+02
               171 
      1  -0.110299D+02
      2  -0.389207D+00
      3   0.114191D+02
      4  -0.698478D+01
      5  -0.156516D+02
      6   0.278888D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.651879D+00      0.165691D+01      0.552686D+01
   x         -0.368312D-01     -0.936155D-01     -0.312268D+00
   y          0.177371D+00      0.450833D+00      0.150382D+01
   z          0.626202D+00      0.159165D+01      0.530916D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.750821D+02      0.111260D+02      0.123794D+02
   aniso      0.125958D+02      0.186650D+01      0.207676D+01
   xx         0.822268D+02      0.121848D+02      0.135574D+02
   yx         0.249082D+01      0.369102D+00      0.410681D+00
   yy         0.741808D+02      0.109925D+02      0.122308D+02
   zx         0.335195D+00      0.496708D-01      0.552662D-01
   zy         0.107135D+01      0.158758D+00      0.176643D+00
   zz         0.688386D+02      0.102008D+02      0.113500D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.806566D+02      0.119521D+02      0.132985D+02
   aniso      0.136245D+02      0.201894D+01      0.224638D+01
   xx         0.881908D+02      0.130685D+02      0.145407D+02
   yx         0.301652D+01      0.447002D+00      0.497357D+00
   yy         0.797801D+02      0.118222D+02      0.131540D+02
   zx         0.356615D+00      0.528449D-01      0.587979D-01
   zy         0.131154D+01      0.194350D+00      0.216243D+00
   zz         0.739988D+02      0.109655D+02      0.122008D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.99249768         -3.18249876         -0.90290510
     6          2.19035984         -0.57923332          0.33502886
     6         -0.00297730          1.15458809         -0.47444508
     6         -2.54686049         -0.15953132         -0.20984605
     8         -3.08485596         -0.72810269          2.23433408
     6          4.72544855          0.66250633         -0.26853606
     7          0.07337461          3.54723126          0.90648257
     8         -3.98833187         -0.62544017         -1.90605006
     1          0.19208718          1.57229809         -2.48495053
     1          2.04251315         -0.82123374          2.38570254
     1         -4.74195086         -1.51021113          2.24867232
     1         -1.22090478          4.77874195          0.21945608
     1         -0.32365726          3.26132185          2.75883173
     1          6.27998206         -0.48838600          0.44798414
     1          4.97063072          0.84937966         -2.31194813
     1          4.85303910          2.53884446          0.56403237
     1          3.58435338         -4.36532922         -0.33999176
     1          0.26222133         -4.17119614         -0.37366216
     1          2.02275779         -3.02151071         -2.96153797

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.651879D+00      0.165691D+01      0.552686D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.651879D+00      0.165691D+01      0.552686D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.750821D+02      0.111260D+02      0.123794D+02
   aniso      0.125958D+02      0.186650D+01      0.207676D+01
   xx         0.822613D+02      0.121899D+02      0.135631D+02
   yx         0.250318D+01      0.370933D+00      0.412719D+00
   yy         0.732610D+02      0.108562D+02      0.120791D+02
   zx         0.276661D+00      0.409969D-01      0.456152D-01
   zy         0.218132D+01      0.323238D+00      0.359650D+00
   zz         0.697239D+02      0.103320D+02      0.114959D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.806566D+02      0.119521D+02      0.132985D+02
   aniso      0.136245D+02      0.201894D+01      0.224638D+01
   xx         0.882336D+02      0.130749D+02      0.145477D+02
   yx         0.302458D+01      0.448197D+00      0.498686D+00
   yy         0.787099D+02      0.116636D+02      0.129775D+02
   zx         0.400809D+00      0.593937D-01      0.660844D-01
   zy         0.247317D+01      0.366486D+00      0.407771D+00
   zz         0.750263D+02      0.111177D+02      0.123702D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-K07-14\Freq\RLC-PBEPBE\Gen\C5H11N1O2\PIERPA\27-Sep-2021\0
 \\#P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight
 ) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=0337000
 000,3/108=0337000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=
 -1)\\ROA calculations.\\0,1\C,1.066458,-1.74225,0.058829\C,1.144781,-0
 .237615,0.319196\C,0.017403,0.519585,-0.407509\C,-1.339934,-0.122015,-
 0.159849\O,-1.699602,-0.061835,1.14839\C,2.507306,0.318287,-0.090613\N
 ,0.026381,1.937057,-0.04776\O,-2.052705,-0.609463,-0.9981\H,0.182303,0
 .443607,-1.483828\H,1.004355,-0.066187,1.392046\H,-2.578745,-0.464892,
 1.218746\H,-0.631756,2.459844,-0.613015\H,-0.239946,2.056537,0.923147\
 H,3.302392,-0.158123,0.485808\H,2.69871,0.120238,-1.148924\H,2.557607,
 1.394116,0.066259\H,1.885722,-2.256885,0.562881\H,0.1324,-2.176666,0.4
 18486\H,1.144663,-1.956563,-1.009918\\Version=ES64L-G16RevA.03\State=1
 -A\HF=-402.5697913\RMSD=9.615e-09\RMSF=4.352e-06\ZeroPoint=0.1641271\T
 hermal=0.1736971\Dipole=-0.0368312,0.1773715,0.6262017\DipoleDeriv=0.0
 46919,-0.0000612,-0.0017248,-0.0040004,-0.0241071,-0.0102375,-0.017629
 7,0.0199865,0.1100895,0.1403752,0.0091947,-0.0144542,-0.0520426,0.1063
 801,0.001961,0.0303428,0.0386261,0.0914589,0.107006,-0.1016362,-0.0371
 304,-0.0809375,0.4198702,0.0253008,-0.0396091,0.0397288,0.1469069,1.08
 48394,0.3603488,0.0513727,0.4325501,0.3513079,0.2591207,-0.0366454,0.2
 312226,1.5618308,-0.520355,-0.0086398,0.3358805,-0.0255882,-0.3453823,
 0.0046719,0.2391886,-0.0342333,-1.1307598,-0.0139036,-0.0443401,0.0211
 351,0.0019878,0.0055292,0.0153852,-0.0307798,0.0013361,0.1312125,-0.50
 29136,-0.1520285,0.0303729,-0.0932648,-0.6829546,-0.0294218,0.0254125,
 -0.0259138,-0.1920233,-0.8409928,-0.2835609,-0.3396325,-0.2449336,-0.4
 515133,-0.2398903,-0.1277117,-0.1575277,-0.8555415,0.0279709,-0.008911
 2,0.0238151,0.0044564,0.0046544,-0.022909,0.0230953,-0.019968,-0.08607
 02,-0.0050086,0.0141506,0.0456143,0.006455,-0.0125617,-0.0438076,0.028
 1347,-0.0327334,-0.1302257,0.2483422,-0.0434749,-0.0409356,-0.0592082,
 0.28421,-0.0178178,-0.0856048,-0.0346775,0.3031214,0.0999605,0.1549635
 ,-0.0916514,0.0606385,0.1694355,-0.0290983,-0.0632741,-0.0349371,0.137
 5327,0.2267891,0.0750762,0.0748498,0.0365839,0.1788343,0.0602663,0.050
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 0119026,0.004839,0.0527141,-0.054745,0.0680318,-0.0277225,-0.1421985,0
 .0824504,-0.0189856,0.0149289,-0.0656315,-0.0981589,-0.0205437,0.01212
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 0629508,0.0007402,0.0122117,-0.0030046,0.0264598,0.0118977,0.0211689,-
 0.0627431,-0.1269195\Polar=82.2267878,2.4908213,74.1808332,0.335195,1.
 071355,68.8385936\Quadrupole=0.0566184,0.241958,-0.2985764,-3.0237512,
 -3.6744762,-1.4948414\PG=C01 [X(C5H11N1O2)]\NImag=0\\0.57597332,-0.002
 90346,0.46614697,0.00016792,-0.02227199,0.56008492,-0.07948443,-0.0051
 2487,-0.00119222,0.46342852,-0.00328943,-0.17511634,-0.02054169,0.0070
 2954,0.47164007,-0.00125542,-0.01869441,-0.08411233,-0.02251660,0.0243
 1955,0.57699598,0.00218892,0.00341374,0.00248714,-0.11648209,0.0143828
 8,-0.02708537,0.44541286,0.02395569,-0.02178730,0.01501783,0.02900162,
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 MAN IS A SINGULAR CREATURE.  HE HAS A SET OF GIFTS
 WHICH MAKE HIM UNIQUE AMONG THE ANIMALS: SO THAT, 
 UNLIKE THEM, HE IS NOT A FIGURE IN THE LANDSCAPE --
 HE IS A SHAPER OF THE LANDSCAPE.

                       -- JACOB BRONOWSKI
 Job cpu time:       0 days  6 hours  6 minutes 59.1 seconds.
 Elapsed time:       0 days  0 hours 45 minutes 54.0 seconds.
 File lengths (MBytes):  RWF=    240 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Mon Sep 27 14:51:05 2021.
